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EC number: 229-419-9 | CAS number: 6528-34-3
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Valid estimation method in conjunction with "column 2" considerations.
- Principles of method if other than guideline:
- Calculated limit value according to "column 2" in Annex VII of REGULATION (EC) No 1907/2006 (melting point between 200°C and 300°C, see section 4.2).
- Type of method:
- other: calculation
- Temp.:
- 25 °C
- Vapour pressure:
- < 0 Pa
- Conclusions:
- The calculated vapour pressure is 6.86 E-10 Pa at 25 °C, given as a limit value of <0.000001 Pa at 25 °C.
- Executive summary:
The vapour pressure was estimated to be 6.86 x 10-10 Pa at 25 °C based on the experimental melting point of 225 °C. The result is reported as a limit value of <0.000001 Pa at 25 °C.
Reference
Detailed results (software output):
Experimental Database Structure Match: no data
SMILES : O=C(Nc(c(OC)ccc1)c1)C(N=Nc(c(N(=O)(=O))cc(OC)c2)c2)C(=O)C
CHEM : Butanamide, 2- (4-methoxy-2-nitrophenyl)azo -N-(2-methoxyphenyl)-3-oxo-
MOL FOR: C18 H18 N4 O6
MOL WT : 386.37
------------------------ SUMMARY MPBPWIN v1.43 --------------------
Boiling Point: 561.97 deg C (Adapted Stein and Brown Method)
Melting Point: 349.84 deg C (Adapted Joback Method)
Melting Point: 214.47 deg C (Gold and Ogle Method)
Mean Melt Pt : 282.16 deg C (Joback; Gold,Ogle Methods)
Selected MP: 241.55 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 561.97 deg C (estimated))
(Using MP: 225.00 deg C (user entered))
VP: 5.74E-015 mm Hg (Antoine Method)
: 7.66E-013 Pa (Antoine Method)
VP: 5.15E-012 mm Hg (Modified Grain Method)
: 6.86E-010 Pa (Modified Grain Method)
VP: 1.6E-011 mm Hg (Mackay Method)
: 2.14E-009 Pa (Mackay Method)
Selected VP: 5.15E-012 mm Hg (Modified Grain Method)
: 6.86E-010 Pa (Modified Grain Method)
Subcooled liquid VP: 7.16E-010 mm Hg (25 deg C, Mod-Grain method)
: 9.55E-008 Pa (25 deg C, Mod-Grain method)
On the basis of the vapour pressure of 6.86 x 10 -10 Pa selected in the software output, a limit value of <0.000001 Pa at 25 °C is chosen.
Description of key information
The calculated vapour pressure is 6.86 E-10 Pa at 25 °C, given as a limit value of <0.000001 Pa at 25 °C.
Key value for chemical safety assessment
- Vapour pressure:
- 0 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.
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.
