- InChI
- InChI=1S/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3
- InChI Key
- QJAVUVZBMMXBRO-UHFFFAOYSA-N
- Formula
- C15H33O4P
- SMILES
- CCCCCOP(=O)(OCCCCC)OCCCCC
- Molecular Weight1
- 308.40
- Other Names
-
- phosphoric acid, tripentyl ester
- tri-n-pentyl phosphate
- triamyl phosphate
- ω : Acentric Factor.
- 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.
- γ : Surface Tension (N/m).
- 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 | 0.8404 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1027.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | [90.70; 92.30] | kJ/mol |
|
| ΔvapH° | 92.30 | kJ/mol | NIST |
| ΔvapH° | 90.70 | kJ/mol | NIST |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.715 | Crippen Calculated Property | |
| McVol | 266.150 | ml/mol | McGowan Calculated Property |
| Pc | 1514.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1895.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Tboil | 596.36 | K | Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography |
| Tc | 730.44 | K | Relay (1.0) Calculated Property |
| Tfus | 214.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.038 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 92.30 | kJ/mol | 298.15 | Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography |
| γ | 0.03 | N/m | 298.15 | Strategy for extractant residual reduction: Experimental and computational investigation of fluorinated phosphate |
Similar Compounds
Find more compounds similar to TRIPENTYL PHOSPHATE.
Mixtures
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
- Strategy for extractant residual reduction: Experimental and computational investigation of fluorinated phosphate
- 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
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. Take the time to validate and double check the source of the data.