- 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
- 266.31
- CAS
- 126-71-6
- Other Names
-
- phosphoric acid, triisobutyl ester
- phosphoric acid, tris(2-methylpropyl) ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6604 | Relay (1.0) Calculated Property | |
| ΔfG° | -417.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -999.49 | kJ/mol | Relay (1.0) Calculated Property |
| 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 |
| Pc | 1649.82 | kPa | Relay (1.0-beta) 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 |
| Tc | 681.55 | K | Relay (1.0) Calculated Property |
| Tfus | 212.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.865 | m3/kmol | Relay (1.0) Calculated Property |
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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