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EC number: 269-822-7 | CAS number: 68334-30-5 A complex combination of hydrocarbons produced by the distillation of crude oil. It consists of hydrocarbons having carbon numbers predominantly in the range of C9 through C20 and boiling in the range of approximately 163°C to 357°C (325°F to 675°F).
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Regulatory accepted QSAR method for organic chemicals properties assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR method
- Principles of method if other than guideline:
- EPI Suite, MPBPWIN v.1.43
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Type of method:
- other: QSAR method
Test material
- Reference substance name:
- data for components
- IUPAC Name:
- data for components
- Details on test material:
- data for components
Constituent 1
Results and discussion
Any other information on results incl. tables
Overview of QSARs estimations on vapour pressure of Diesel Fuel components
Method
|
Results |
Remarks |
Reference |
||
Hexane, C6H14(CAS No. 110-54-3)
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QSAR estimate |
Selected VP: =150 mm Hg at 25oC; =20000 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=153 mm Hg at 25oC; = 20500 Pa at 25oC (Vapor Pressure, Antoine method)
=147 mm Hg at 25oC; =19600 Pa at 25oC (Vapor Pressure, Modified Grain method)
=156 mm Hg at 25oC; =20900 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Heptane, C7H16(CAS No. 142-82-5)
|
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QSAR estimate |
Selected VP: =45.9 mm Hg at 25oC; =6120 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=48 mm Hg at 25oC; = 6400 Pa at 25oC (Vapor Pressure, Antoine method)
=43.8 mm Hg at 25oC; =5840 Pa at 25oC (Vapor Pressure, Modified Grain method)
=48.1 mm Hg at 25oC; =6410 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Octane, C8H18(CAS No. 111-65-9)
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QSAR estimate |
Selected VP: =14.8 mm Hg at 25oC; =1980 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=15.8 mm Hg at 25oC; = 2110 Pa at 25oC (Vapor Pressure, Antoine method)
=13.8 mm Hg at 25oC; =1840 Pa at 25oC (Vapor Pressure, Modified Grain method)
=15.5 mm Hg at 25oC; =2060 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Nonane, C9H20(CAS No. 111-84-2)
|
|||||
QSAR estimate |
Selected VP: =4.96 mm Hg at 25oC; =661 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=5.36 mm Hg at 25oC; = 715 Pa at 25oC (Vapor Pressure, Antoine method)
=4.55 mm Hg at 25oC; =607 Pa at 25oC (Vapor Pressure, Modified Grain method)
=5.14 mm Hg at 25oC; =686 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Decane, C10H22(CAS No. 124-18-5)
|
|||||
QSAR estimate |
Selected VP: =1.73 mm Hg at 25oC; =231 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=1.89 mm Hg at 25oC; = 251 Pa at 25oC (Vapor Pressure, Antoine method)
=1.58 mm Hg at 25oC; =211 Pa at 25oC (Vapor Pressure, Modified Grain method)
=1.79 mm Hg at 25oC; =239 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Hendecane, C11H24(CAS No. 1120-21-4)
|
|||||
QSAR estimate |
Selected VP: =0.629 mm Hg at 25oC; =83.8 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=0.681 mm Hg at 25oC; = 90.8 Pa at 25oC (Vapor Pressure, Antoine method)
=0.576 mm Hg at 25oC; =76.9 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.65 mm Hg at 25oC; =86.6 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Dodecane, C12H26(CAS No. 112-40-3)
|
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QSAR estimate |
Selected VP: =0.236 mm Hg at 25oC; =31.5 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=0.253 mm Hg at 25oC; = 33.7 Pa at 25oC (Vapor Pressure, Antoine method)
=0.22 mm Hg at 25oC; =29.3 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.245 mm Hg at 25oC; =32.7 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Tridecane, C13H28(CAS No. 629-50-5)
|
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QSAR estimate |
Selected VP: =0.0921 mm Hg at 25oC; =12.3 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=0.0964 mm Hg at 25oC; = 12.9 Pa at 25oC (Vapor Pressure, Antoine method)
=0.0878 mm Hg at 25oC; =11.7 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.0968 mm Hg at 25oC; =12.9 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Tetradecane, C14H30(CAS No. 629-59-4)
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QSAR estimate |
Selected VP: =0.0369 mm Hg at 25oC; =4.92 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=0.0375 mm Hg at 25oC; = 5 Pa at 25oC (Vapor Pressure, Antoine method)
=0.0364 mm Hg at 25oC; =4.85 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.0395 mm Hg at 25oC; =5.26 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Pentadecane, C15H32(CAS No. 629-62-9)
|
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QSAR estimate |
Selected VP: =0.0153 mm Hg at 25oC; =2.03 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain method)
=0.0149 mm Hg at 25oC; = 1.98 Pa at 25oC (Vapor Pressure, Antoine method)
=0.0156 mm Hg at 25oC; =2.08 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.0167 mm Hg at 25oC; =2.22 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Hexadecane, C16H34(CAS No. 544-76-3)
|
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QSAR estimate |
Selected VP: =0.00696 mm Hg at 25oC; =0.929 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.00603 mm Hg at 25oC; = 0.804 Pa at 25oC (Vapor Pressure, Antoine method)
=0.00696 mm Hg at 25oC; =0.929 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.00729 mm Hg at 25oC; =0.972 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Heptadecane, C17H36(CAS No. 629-78-7)
|
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QSAR estimate |
Selected VP: =0.00324 mm Hg at 25oC; =0.432 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.00252 mm Hg at 25oC; = 0.335 Pa at 25oC (Vapor Pressure, Antoine method)
=0.00324 mm Hg at 25oC; =0.432 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.00332 mm Hg at 25oC; =0.443 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Octadecane, C18H38(CAS No. 593-45-3)
|
|||||
QSAR estimate |
Selected VP: =0.00146 mm Hg at 25oC; =0.195 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.00101 mm Hg at 25oC; = 0.135 Pa at 25oC (Vapor Pressure, Antoine method)
=0.00146 mm Hg at 25oC; =0.195 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.00146 mm Hg at 25oC; =0.195 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Nonadecane, C19H40(CAS No. 629-92-5)
|
|||||
QSAR estimate |
Selected VP: =0.000673 mm Hg at 25oC; =0.0897 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.000408 mm Hg at 25oC; = 0.0543 Pa at 25oC (Vapor Pressure, Antoine method)
=0.000673 mm Hg at 25oC; =0.0897 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.000652 mm Hg at 25oC; =0.087 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Eicosane, C20H42(CAS No. 112-95-8)
|
|||||
QSAR estimate |
Selected VP: =0.00031mm Hg at 25oC; =0.0413 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.000163 mm Hg at 25oC; = 0.0217 Pa at 25oC (Vapor Pressure, Antoine method)
=0.00031 mm Hg at 25oC; =0.0413 Pa at 25oC (Vapor Pressure, Modified Grain method)
=0.000292 mm Hg at 25oC; =0.389 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Toluene, C7H8(CAS No. 108-88-3)
|
|||||
QSAR estimate |
Selected VP: =23.7 mm Hg at 25oC; =3160 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain methods)
=25.1 mm Hg at 25oC; = 3340 Pa at 25oC (Vapor Pressure, Antoine method)
=22.3 mm Hg at 25oC; =2970 Pa at 25oC (Vapor Pressure, Modified Grain method)
=29.2 mm Hg at 25oC; =3890 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
Ethylbenzene, C8H10(CAS No. 100-41-4)
|
|||||
QSAR estimate |
Selected VP: =7.59 mm Hg at 25oC; =1010 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain methods)
=8.19 mm Hg at 25oC; = 1090 Pa at 25oC (Vapor Pressure, Antoine method)
=7 mm Hg at 25oC; =933 Pa at 25oC (Vapor Pressure, Modified Grain method)
=9.83 mm Hg at 25oC; =1310 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
p-Xylene, C8H10(CAS No. 106-42-3)
|
|||||
QSAR estimate |
Selected VP: =6.87mm Hg at 25oC; =916 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain methods)
=7.42 mm Hg at 25oC; = 989 Pa at 25oC (Vapor Pressure, Antoine method)
=6.32 mm Hg at 25oC; =843 Pa at 25oC (Vapor Pressure, Modified Grain method)
=8.93 mm Hg at 25oC; =1190 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
||
o-Xylene, C8H10(CAS No. 95-47-6)
|
|||||
QSAR estimate |
Selected VP: =6.81mm Hg at 25oC; =908 Pa at 25oC (Vapor Pressure, Mean of Antoine & Grain methods)
=7.35 mm Hg at 25oC; = 980 Pa at 25oC (Vapor Pressure, Antoine method)
=6.27 mm Hg at 25oC; =835 Pa at 25oC (Vapor Pressure, Modified Grain method)
=8.85 mm Hg at 25oC; =1180 Pa at 25oC (Vapor Pressure, Mackay method)
|
Valid with restrictions (2); QSAR method; Estimated values |
MPBPWIN (v.1.43) |
Applicant's summary and conclusion
- Conclusions:
- the QSAR estimated values for vapour pressure of Diesel Fuel paraffinic components indicate very low vapour pressure for this substance.
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