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EC number: 609-920-2 | CAS number: 4137-56-8
- 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:
- on June 14, 2005
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- EU Directive 92/69/EEC, Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour Pressure”, EEC Publication No. L383, December 1992. OECD Guideline for Testing of Chemicals, Guideline No. 104, “Vapour Pressure”, adopted July 27, 1995.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Version / remarks:
- and EU Directive 92/69/EEC, A.4
- Deviations:
- no
- Principles of method if other than guideline:
- CALCULATION METHODS
PRINCIPLE
Several techniques are available to determine the vapour pressure of a test item experimentally. These techniques are described in EEC guideline A.4 and in the OECD guideline 104.
If the vapour pressure of Tosylfuranosid is expected to be so small that the value is below the measurement range of an experimental determination (e.g. the gas saturation method), then the vapour pressure can also be calculated, using the Modified Watson Correlation. This method is described by Lyman et al. (1990).
This method calculates the vapour pressure from the boiling point of the test item.
CALCULATION OF THE BOILING POINT
The boiling point of Tosylfuranosid is necessary for the calculation of the vapour pressure and was calculated using the Meissner’s method (Lyman et al., 1990).
This calculation is based on the relation ship of the boiling points (at atmospheric pressure) with chemical type; molar refraction (Rd) and parachor (Pa) are used as variables in the following correlation:
Tb = 637x(Rd)1.47+B/Pa
Where:
Tb = Boiling point [K]
Rd = Molar refraction
Pa = Parachor
B = Constant factor, depending upon the chemical type
The molar refraction and parachor values were computed according to Eisenlohr (Lyman et al., 1990) and Sugden (Lyman et al., 1990), respectively, by summing the contributions for each atom or substructure and multiple bond in the compound.
CALCULATION OF THE VAPOUR PRESSURE
Using the calculated boiling point of Tosylfuranosid, the vapour pressure was calculated using the Modified Watson Correlation:
With: Hvb/Tb = Kf · (8.75 + R · InTb)
Where:
Pvp = Vapour pressure [atmospheres]
Hvb = Heat of vaporisation at the boiling point [cal/mol]
Zb = Compressibility factor (= 0.97)
R = Gas constant [1.987 cal/mol/K]
Tb = Boiling point of Tosylfuranosid = 652.2 K
Tbp = T/Tb
T = Temperature at which the vapour pressure is to be calculated [K] = 298 K
m = Empirical factor depending on the physical state at T and depending on Tbp (here 1.19)
Kf = Empirical factor considering the polarity of the test item (1.06)
The factors for the calculations described above were selected from the literature. - GLP compliance:
- yes
- Type of method:
- other: Calculation
Test material
- Reference substance name:
- [(3aS,4S,6S)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl 4-methylbenzene-1-sulfonate
- EC Number:
- 609-920-2
- Cas Number:
- 4137-56-8
- Molecular formula:
- C16H22O7S
- IUPAC Name:
- [(3aS,4S,6S)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl 4-methylbenzene-1-sulfonate
- Details on test material:
- Identity: Tosylfuranosid
Appearance: Solid / white
Storage: At room temperature at about 20°C
Expiration date: July 31, 2005
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- ca. 1.33 Pa
- Remarks on result:
- other: The vapour pressure of Tosylfuranosid was estimated to be 1.33 x 10-06 Pa at 25°C based on the boiling point calculated and using the Modified Watson Correlation.
Any other information on results incl. tables
The estimation of the vapour pressure of Tosylfuranosid was based on the EEC directive 92/69, Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour Pressure”, EEC Publication No. L383, December 1992 and the OECD Guideline No. 104, “Vapour Pressure”, adopted July 27, 1995.
The boiling point of Tosylfuranosid was calculated to be approximately 379.2°C using Meissner’s method.
The contribution of molar refraction (Rd) and parachor (Pa) in the calculation of the boiling point of Tosylfuranosid and the contributions of the constant B were evaluated.
The vapour pressure of Tosylfuranosid was estimated to be
1.33 x 10-06 Pa at 25°C
based on the boiling point calculated and using the Modified Watson Correlation.
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of Tosylfuranosid was estimated to be
1.33 x 10-06 Pa at 25°C
based on the boiling point calculated and using the Modified Watson Correlation. - Executive summary:
PURPOSE
The purpose of this study was to calculate the vapour pressure of Tosylfuranosid at 25°C. The vapour pressure is a function of the temperature and is specified in Pascal (Pa) or in atmospheres (atm). One atmosphere equals 1.013 x 105 Pa.
RESULTS
The estimation of the vapour pressure of Tosylfuranosid was based on the EEC directive 92/69, Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour Pressure”, EEC Publication No. L383, December 1992 and the OECD Guideline No. 104, “Vapour Pressure”, adopted July 27, 1995.
The boiling point of Tosylfuranosid was calculated to be approximately 379.2°C using Meissner’s method.
The vapour pressure of Tosylfuranosid was estimated to be
1.33 x 10-06 Pa at 25°C
based on the boiling point calculated and using the Modified Watson Correlation.
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