- InChI
- InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
- InChI Key
- SFENPMLASUEABX-UHFFFAOYSA-N
- Formula
- C18H39O4P
- SMILES
- CCCCCCOP(=O)(OCCCCCC)OCCCCCC
- Molecular Weight1
- 350.48
- Other Names
-
- tri-n-hexyl phosphate
- 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 | 0.9456 | Relay (1.0) Calculated Property | |
| ΔfG° | -351.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1084.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | [104.80; 104.90] | kJ/mol |
|
| ΔvapH° | 104.80 | kJ/mol | NIST |
| ΔvapH° | 104.90 | kJ/mol | NIST |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.885 | Crippen Calculated Property | |
| McVol | 308.420 | ml/mol | McGowan Calculated Property |
| Pc | 1257.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2174.00; 2228.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 639.27 | K | Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography |
| Tc | 764.54 | K | Relay (1.0) Calculated Property |
| Tfus | 230.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.206 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 104.91 | kJ/mol | 298.15 | Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography |
Similar Compounds
Find more compounds similar to Trihexyl 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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