Triisotridecyl phosphite

Vapour pressure

Description of key information

1. 
The Vapour Pressure of TiTDP has been calculated as 1.14E-006  Pa at 25deg C
This is considered to be a maximum VP based on the complex structural isomers present
This maximum value will be used for the CSA in order not to under estimate the exposure to TiTDP
2. 
It is not possible to measure the VP of by the OECD 104 method for the following reasons
•The TiTDP will decompose at temperatures less than its boiling point and as such the determination by experiment is not possible
•A lower boiling and lower molecular weight structural analogue was considered by experts to be too low to be measured (Trisisodecyl phosphite –See TiDP IUCLID  (CAS 25448-25-3 Reimer 2002 Report no 103011312))
•The calculated value is for TiDP is less than 10-5 Pa at 25 deg C
TiTDP is a UVCB by virtue principally be the iso branching of the C13 phosphite substituents
When various structural possibilities were used to assess the calculated boiling point, it was the most highly branched isomers which gave the minimum boiling point 
Additionally, it was also the most highly branched isomers which also the highest calculated vapour pressure 
In order not to underestimate the VP, it is a highly branched isomer which has been used to calculate the VP 
Additionally, it was not possible to determine the actual freezing point. It was shown that the TiTDP does not freeze at -20deg C
This value was incorporated into the calculation –with the effect of the consideration of the TiTDP correctly as a liquid

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

The calculated value using a representative structure which is most highly branched, is less than 1.14E-006 Pa at 25 deg C

 

a. Experimental Database Structure Match: no data

 

SMILES : CC(CCC(C)CC(C)C(C)COP(OC(C)CC(C)CC(C)CCC(C)C)OC(C)CC(C)C(C)CC(C)C(C)C)C

CHEM  :

MOL FOR: C39 H81 O3 P1

MOL WT : 629.05

------------------------ SUMMARY MPBPWIN v1.43 --------------------

 

 

Boiling Point: 520.01 deg C (Adapted Stein and Brown Method)

 

 

Vapor Pressure Estimations (25 deg C):

 (Using BP: 520.00 deg C (user entered))

 (MP not used for liquids)

   VP: 6.05E-011 mm Hg (Antoine Method)

     : 8.06E-009 Pa (Antoine Method)

   VP: 8.53E-009 mm Hg (Modified Grain Method)

     : 1.14E-006 Pa (Modified Grain Method)

   VP: 1.83E-008 mm Hg (Mackay Method)

     : 2.43E-006 Pa (Mackay Method)

 Selected VP: 8.53E-009 mm Hg (Modified Grain Method)

            : 1.14E-006 Pa (Modified Grain Method)