- InChI
- InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
- InChI Key
- GTVWRXDRKAHEAD-UHFFFAOYSA-N
- Formula
- C24H51O4P
- SMILES
-
CCCCC(CC)COP(=O)(OCC(CC)CCCC)O
CC(CC)CCCC - Molecular Weight1
- 434.63
- CAS
- 78-42-2
- Other Names
-
- 1-Hexanol, 2-ethyl-, phosphate
- 2-Ethyl-1-hexanol phosphate
- 2-Ethylhexanol phosphate (3:1)
- 2-Ethylhexanol, phosphate triester
- Amgard TOF
- Disflamoll TOF
- Flexol TOF
- Flexol plasticizer TOF
- Kronitex TOF
- NCI-C54751
- NSC 407921
- Phosphoric acid, tris(ethylhexyl) ester
- TOF
- Tri(ethylhexyl) phosphate
- Trioctyl phosphate
- Tris(ethylhexyl) phosphate
- Tris-(2-ethylhexyl)fosfat
- tri(2-ethylhexyl) phosphate
- tris(2-ethylhexyl) phosphate
- ω : Acentric Factor.
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 | 1.0076 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1238.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.89 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -7.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.793 | Crippen Calculated Property | |
| McVol | 392.960 | ml/mol | McGowan Calculated Property |
| Pc | 804.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2448.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2448.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Inp | 2448.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 670.81 | K | Relay (1.0) Calculated Property |
| Tc | 811.28 | K | Relay (1.0) Calculated Property |
| Tfus | 183.00 ± 0.60 | K | NIST |
| Vc | 1.477 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 |
|---|---|---|---|---|
| η | [0.0097080; 0.0140870] | Pa×s | [293.15; 303.15] |
|
| η | 0.0140870 | Pa×s | 293.15 | Densities and Viscosities of Binary Mixtures of Tris(2-ethylhexyl) Phosphate + Cyclohexane or n-Hexane at T ) (293.15, 298.15, and 303.15) K and p ) 0.1 MPa |
| η | 0.0116150 | Pa×s | 298.15 | Densities and Viscosities of Binary Mixtures of Tris(2-ethylhexyl) Phosphate + Cyclohexane or n-Hexane at T ) (293.15, 298.15, and 303.15) K and p ) 0.1 MPa |
| η | 0.0097080 | Pa×s | 303.15 | Densities and Viscosities of Binary Mixtures of Tris(2-ethylhexyl) Phosphate + Cyclohexane or n-Hexane at T ) (293.15, 298.15, and 303.15) K and p ) 0.1 MPa |
| Pvap | 2.10e-08 | kPa | 298.00 | Determination of Vapor Pressures for Organophosphate Esters |
Similar Compounds
Find more compounds similar to Phosphoric acid, tris(2-ethylhexyl) ester.
Mixtures
- Cyclohexane + Phosphoric acid, tris(2-ethylhexyl) ester
- n-Hexane + Phosphoric acid, tris(2-ethylhexyl) ester
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
- Densities and Viscosities of Binary Mixtures of Tris(2-ethylhexyl) Phosphate + Cyclohexane or n-Hexane at T ) (293.15, 298.15, and 303.15) K and p ) 0.1 MPa
- McGowan Method
- NIST Webbook
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