- InChI
- InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
- InChI Key
- CGSLYBDCEGBZCG-UHFFFAOYSA-N
- Formula
- C20H27O4P
- SMILES
-
CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1
ccccc1 - Molecular Weight1
- 362.40
- CAS
- 1241-94-7
- Other Names
-
- (2-Ethylhexyl)-difenylfosfat
- 1-Hexanol, 2-ethyl-, ester with diphenyl phosphate
- 2-Ethyl-1-hexanol ester with diphenyl phosphate
- 2-Ethylhexyl diphenyl ester of phosphoric acid
- 2-Ethylhexyl diphenyl ester phosphoric acid
- 2-Ethylhexyl diphenyl phosphate
- Diphenyl 2-ethylhexyl phosphate
- Disflamoll DPO
- Phosflex 362
- Phosphoric acid diphenyl 2-ethylhexyl ester
- Phosphoric acid, 2-ethylhexyl diphenyl ester
- Sancticiser 141
- Sancticizer 141
- Santicizer 141
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.485 | Crippen Calculated Property | |
| McVol | 289.080 | ml/mol | McGowan Calculated Property |
| Pc | 1361.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2410.00; 2410.00] |
|
|
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Tboil | 670.45 | K | Relay (1.0) Calculated Property |
| Tfus | 251.58 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | 8.90e-08 | kPa | 298.00 | Determination of Vapor Pressures for Organophosphate Esters |
Similar Compounds
Find more compounds similar to Octicizer.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Determination of Vapor Pressures for Organophosphate Esters
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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