Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 239-938-2 | CAS number: 15834-05-6
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Council Regulation (EC) N° 440/2008
- Version / remarks:
- 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- effusion method: vapour pressure balance
- Key result
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0.001 Pa
- Remarks on result:
- other: Calculated by using Antoine constants
- Conclusions:
- The vapour pressure of Neopentyl Glycol Dipelargonate was found to be 7.6 x 10-4 Pa at 25°C.
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: Modified Grain method
- Deviations:
- not applicable
- Type of method:
- other: Qsar
- Remarks:
- Modified Grain method
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0.002 Pa
- Conclusions:
- The estimated vapour pressure was 0.00162 Pa
Referenceopen allclose all
Results
A summary is shown below:
Run 3 |
Run 4 |
|
Correlation |
-0.9986 |
-0.9837 |
Slope |
-3623.6 |
-3243.1 |
Intercept |
9.015 |
7.771 |
Log Vp at 25°C |
-3.14 |
-3.11 |
Vp (Pa) at 25°C |
7.27 x 10-4 |
7.82 x 10-4 |
The mean vapour pressure at 25°C was 7.6 x 10-4 Pa.
SMILES : O=C(OCC(C)(C)COC(=O)CCCCCCCC)CCCCCCCC
CHEM : Nonanoic acid, 2,2-dimethyl-1,3-propanediyl ester
MOL FOR: C23 H44 O4
MOL WT : 384.60
------------------------ SUMMARY MPBPWIN v1.43 --------------------
Boiling Point: 393.21 deg C (Adapted Stein and Brown Method)
Melting Point: 32.89 deg C (Adapted Joback Method)
Melting Point: 115.94 deg C (Gold and Ogle Method)
Mean Melt Pt : 74.41 deg C (Joback; Gold,Ogle Methods)
Selected MP: 46.73 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 393.21 deg C (estimated))
(Using MP: 46.73 deg C (estimated))
VP: 1.85E-006 mm Hg (Antoine Method)
: 0.000246 Pa (Antoine Method)
VP: 7.69E-006 mm Hg (Modified Grain Method)
: 0.00103 Pa (Modified Grain Method)
VP: 1.52E-005 mm Hg (Mackay Method)
: 0.00202 Pa (Mackay Method)
Selected VP: 7.69E-006 mm Hg (Modified Grain Method)
: 0.00103 Pa (Modified Grain Method)
Subcooled liquid VP: 1.21E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00162 Pa (25 deg C, Mod-Grain method)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 4 | -CH3 | 21.98 | 87.92
Group | 16 | -CH2- | 24.22 | 387.52
Group | 1 | >C< | 4.50 | 4.50
Group | 2 | -COO- (ester) | 78.85 | 157.70
Corr | 1 | Diester-type | -35.00 | -35.00
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 800.82
RESULT- corr | BOILING POINT in deg Kelvin | 666.37
| BOILING POINT in deg C | 393.21
-------------------------------------------------------
-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 4 | -CH3 | -5.10 | -20.40
Group | 16 | -CH2- | 11.27 | 180.32
Group | 1 | >C< | 46.43 | 46.43
Group | 2 | -COO- (ester) | 53.60 | 107.20
Corr | 1 | Diester-type | -130.00 | -130.00
* | | Equation Constant | | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 306.05
| MELTING POINT in deg C | 32.89
-------------------------------------------------------
Description of key information
0.00076 Pa at 25 °C
Key value for chemical safety assessment
- Vapour pressure:
- 0.001 Pa
- at the temperature of:
- 25 °C
Additional information
The measured value according to OECD 104 is 0.00076 Pa @ 25°C.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.