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EC number: 812-497-9 | CAS number: 1893414-79-3
- 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
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Results of experimental determination of vapour pressure (OECD 104 study) were conisdered inconclusive for risk assessment. Instead QSAR calculations of vapour pressure of representative components are presented and used for risk assessment.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR calculations of vapour pressure of representative components.
- GLP compliance:
- no
- Type of method:
- other: calculation ofvapour pressure
- Specific details on test material used for the study:
- Name: Phosphoric acid, C14-15 branched and linear alkyl esters, potassium salts
CAS No.: 1893414-79-3
Physical state: white solid at 20 °C
Batch No.: PU61810016
Re-certification date of batch: 09 March 2018
Purity: 100 % (UVCB, lyophilized solid, water content 0.85 % (w/w))
Stability: stable under test conditions
Storage condition of test material: Room temperature, protected from light - Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- <= 0.026 Pa
- Remarks on result:
- other: Tetradecyl dihydrogen phosphate (monoester)
- Remarks:
- modified Grain method
- Key result
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- <= 0.045 Pa
- Remarks on result:
- other: Ditetradecyl hydrogen phosphate (diester)
- Remarks:
- modified Grain method
- Key result
- Test no.:
- #3
- Temp.:
- 25 °C
- Vapour pressure:
- <= 0.026 hPa
- Remarks on result:
- other: Ditetradecyl dihydorgen diphosphate (pyroester)
- Remarks:
- modified Grain method
- Conclusions:
- The vapour pressure of the test item was calculated at 25 °C to 0.0264 Pa (phosphoric acid monoester and diphosphoric acid ester) and 0.045 Pa (phosphoric acid diester) using MPBPVP v1.43 (EPI Suite) and the modified Grain method.
- Executive summary:
The vapour pressure of relevant phosphoric acid ester derivatives contained in Phosphoric acid, C14 -15 branched and linear alkyl esters, potassium salts were calculated using MPBPVP v1.43 (EPI Suite)
and the modified Grain method. The calculation was performed with the SMILES codes of the acid form of the phosphoric acid esters. The melting and boiling point of the registered substances derived from OECD 102 and OECD 103 studies were used as input parameter for the calculation. The vapour pressure of the test item was calculated at 25 °C to 0.0264 Pa (monoester and pyroester) and 0.045 Pa (diester).
Reference
Results
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : 270.00
Melting Point (deg C) : 70.50
Vapor Pressure (mm Hg) : ------
Phosphoric acid monoester:
SMILES : OP(O)(=O)OCCCCCCCCCCCCCC
MOL FOR: C14 H31 O4 P1
MOL WT : 294.37
------------------------------ EPI SUMMARY (v4.11) --------------------------
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 431.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 85.51 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000198 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0264 (Modified Grain method)
Subcooled liquid VP: 0.000532 mm Hg (25 deg C, Mod-Grain method)
: 0.071 Pa (25 deg C, Mod-Grain method)
Phosphoric acid diester:
SMILES : O=P(O)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
MOL FOR: C28 H59 O4 P1
MOL WT : 490.75
------------------------------ EPI SUMMARY (v4.11) --------------------------
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000338 (Modified Grain method)
VP (Pa, 25 deg C) : 0.045 (Modified Grain method)
Subcooled liquid VP: 0.000907 mm Hg (25 deg C, Mod-Grain method)
: 0.121 Pa (25 deg C, Mod-Grain method)
Diphosphoric acid ester (pyroester):
SMILES : OP(=O)(OCCCCCCCCCCCCCC)OP(O)(=O)OCCCCCCCCCCCCCC
CHEM :
MOL FOR: C28 H60 O7 P2
MOL WT : 570.73
------------------------------ EPI SUMMARY (v4.11) --------------------------
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000198 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0264 (Modified Grain method)
Subcooled liquid VP: 0.000532 mm Hg (25 deg C, Mod-Grain method)
: 0.071 Pa (25 deg C, Mod-Grain method)
Description of key information
The vapour pressure of the test item was calculated at 25 °C to 0.0264 Pa (monoester and pyroester) and 0.045 Pa (diester) using MPBPVP v1.43 (EPI Suite) and the modified Grain method.
Key value for chemical safety assessment
- Vapour pressure:
- 0.045 Pa
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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