- InChI
- InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
- InChI Key
- HRKAMJBPFPHCSD-UHFFFAOYSA-N
- Formula
- C12H27O4P
- SMILES
- CC(C)COP(=O)(OCC(C)C)OCC(C)C
- Molecular Weight1
- 266.32
- Other Names
-
- phosphoric acid, triisobutyl ester
- phosphoric acid, tris(2-methylpropyl) ester
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| ΔvapH° | [73.00; 76.30] | kJ/mol |
|
| ΔvapH° | 73.00 | kJ/mol | NIST |
| ΔvapH° | 76.30 | kJ/mol | NIST |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.112 | Crippen Calculated Property | |
| McVol | 223.880 | ml/mol | McGowan Calculated Property |
| Inp | [1483.00; 1483.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Tboil | 537.82 | K | Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography |
| Tfus | 211.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 |
|---|---|---|---|---|
| ΔvapH | [62.80; 72.97] | kJ/mol | [298.15; 474.00] |
|
| ΔvapH | 72.97 | kJ/mol | 298.15 | Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography |
| ΔvapH | 62.80 | kJ/mol | 474.00 | NIST |
Similar Compounds
Find more compounds similar to Triisobutyl phosphate.
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
- Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography
- Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography
- McGowan Method
- NIST Webbook
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