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EC number: 691-061-8 | CAS number: 1001320-38-2
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- March 2013 - August 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- (2006)
- Deviations:
- yes
- Remarks:
- Open aluminum pans were used. This is a discrepancy from the OECD guideline. The OECD guideline calls for a plate instead of a pan.
- GLP compliance:
- no
- Type of method:
- effusion method: by loss of weight or by trapping vaporisate
Test material
- Reference substance name:
- butyl N-[(butylsulfanyl)methanethioyl]carbamate
- EC Number:
- 691-061-8
- Cas Number:
- 1001320-38-2
- Molecular formula:
- C10H19NO2S2
- IUPAC Name:
- butyl N-[(butylsulfanyl)methanethioyl]carbamate
- Test material form:
- solid
- Remarks:
- yellow grease-like solid
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): MaxGold(R)
- CAS no.: 1001320-38-2
Results and discussion
Vapour pressure
- Temp.:
- 30 °C
- Vapour pressure:
- 0.48 Pa
- Remarks on result:
- other: The calculated vapor pressure at 25 degrees C is not being reported. This is because at 25 degrees C the test substance is transitioning from a solid to a liquid form (the melting point of the test substance is between 23-29 degrees C).
Any other information on results incl. tables
The vapour pressure equation with Pa units is:
Y = -3085.8X + 9.8547
where Y = log pressure (Pa), and X = 1/K. The R2 = 0.9996.
Table. Experimental evaporation rates on the test substance and calculated vapor pressure.
Sample Temperature |
Evaporation Rate |
Calculated Vapor Pressure |
|||
°C |
1/K |
%wt./min |
log %wt./min |
log P (Pa) |
P (Pa) |
40 |
0.003193 |
0.0006271 |
-3.202663199 |
-0.3553 |
0.4413 |
50 |
0.00300 |
0.002601 |
-2.584859648 |
0.2970 |
1.9816 |
60 |
0.00283 |
0.008008 |
-2.096475936 |
0.8126 |
6.4959 |
90 |
0.00268 |
0.02151 |
-1.66735959 |
1.2657 |
18.4375 |
80 |
0.00254 |
0.06176 |
-1.209292713 |
1.7493 |
56.1473 |
The above equation was derived from the experimental evaporation rates of the test substance and standard reference material and the literature value of the standard reference material.
The log evaporation rates of the test substance was plugged into the equation Y = 0.893X + 3.6155 in order to calculate the vapour pressure at the experimental temperature. Y = log pressure of benzoic acid (Pa) and X = log evaporation rate of benzoic acid (%wt./min.). The experimental evaporation rates of the test substance at five temperatures are given in the table here above.
Applicant's summary and conclusion
- Conclusions:
- The estimated vapour pressure of the test substance at 30 °C is 0.48 Pa. Due to the transition phase from solid to liquid that takes place between 23-25 °C, the vapour pressure at 25 °C could not be determined. The determined value has been acquired using a method based on OECD 104 guideline.
- Executive summary:
The vapour pressure of the test material was been determined according to EC A.4 method and OECD test guideline 104. The test material was determined to have a vapour pressure of 0.48 Pa at 30°C using the effusion method.
The vapor pressure equation in Pascal is
Y = -3085.8X + 9.8547
R² = 0.9996
where Y = log Pressure (Pa), and X = 1/K.
The calculated vapor pressure at 25°C is not being reported. The test substance at 25°C is transitioning from a solid to a liquid (melting point of test substance is 23 – 29°C. Therefore, the calculated vapor pressure using the equation above would result in a higher vapor pressure since all measurements were made on the test substance as a liquid. Extrapolation of the vapor pressure using the equation outside of 30°C and 100°C is not advised due to the phase change.
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