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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

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 limited documentation / justification
Remarks:
QSAR EPISUITE Software used
Justification for type of information:
QSAR EPISUITE Software used

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
No information
Author:
SRC
Year:
2013
Bibliographic source:
SRC PhysProp Database, SRC, Inc., USA on the web http://esc.syrres.com/fatepointer/webprop.asp?CAS=1745819
Reference Type:
publication
Title:
No information
Author:
NEELY,WB & BLAU,GE
Year:
1985
Bibliographic source:
Lyman, W.J.   1985.   In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2,US EPA EPISUITE published on SRC PhysProp Database, SRC Inc., USA on the web

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR software used
GLP compliance:
not specified
Remarks:
QSAR EPISUITE Software used
Type of method:
other: QSAR EPISUITE Software used

Test material

Constituent 1
Chemical structure
Reference substance name:
2-allylphenol
EC Number:
217-119-0
EC Name:
2-allylphenol
Cas Number:
1745-81-9
Molecular formula:
C9H10O
IUPAC Name:
2-(prop-2-en-1-yl)phenol
Details on test material:
CAS Number : 001745-81-9
Chem Name : Phenol, 2-(2-propenyl)-
Mol Formula: C9H10O
smiles code: C=CCC1=CC=CC=C1O
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
Mol Weight : 134.18
Melting Pt : -6 deg C
Boiling Pt : 220 deg C
Specific details on test material used for the study:
QSAR EPISUITE Software used

Results and discussion

Vapour pressure
Key result
Temp.:
20 °C
Vapour pressure:
0.063 mm Hg
Remarks on result:
other: QSAR EPISUITE Software used

Applicant's summary and conclusion