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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key 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
Justification for type of information:
1. SOFTWARE
EPISuite 4.11
2. MODEL (incl. version number)
MPBPWIN (Version 1.43)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Phosphoric acid, dodecyl ester, potassium salt
CAS Number: 39322-78-6
SMILES : C(CCCCCCCCCCC)OP(=O)(O)O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Refer to attached document
5. APPLICABILITY DOMAIN
Refer to attached document
6. ADEQUACY OF THE RESULT
The substance is within the molecular weight range of the training set.
Qualifier:
no guideline followed
Principles of method if other than guideline:
The vapour pressure was calculated using EPIWIN v4.00, MPBPVP v1.43
GLP compliance:
no
Type of method:
other: QSAR
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Modified Grain method

The vapour pressure of Phosphoric acid, C12-18-alkyl esters, potassium salts was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent Phosphoric acid, dodecyl ester, potassium salt. Moreover this substance is the ester with the lowest chain length and therefore considered a worst case as well.

The substance is within the molecular weight range of the training set and thus considered adequate.

Conclusions:
The vapour presse is estimated to be 1.5E-6 Pa at 25 °C.
Executive summary:

The vapour pressure of Phosphoric acid, C12-18-alkyl esters, potassium salts was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent Phosphoric acid, dodecyl ester, potassium salt.

Moreover this substance is the ester with the lowest chain length and therefore considered a worst case as well.

The substance is within the molecular weight range of the training set and thus considered adequate.

The vapour presse is estimated to be 1.5E-6 Pa at 25 °C.

Description of key information

The vapour pressure of Phosphoric acid, C12-18-alkyl esters, potassium salts was calculated using EPIWIN v4.00, MPBPVP v1.43, based on SMILES code of the main constituent Phosphoric acid, dodecyl ester, potassium salt.

Moreover this substance is the ester with the lowest chain length and therefore considered a worst case as well.

The substance is within the molecular weight range of the training set and thus considered adequate.

The vapour presse is estimated to be 1.5E-6 Pa at 25 °C.

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

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