- InChI
- InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3
- InChI Key
- FRDNONBEXWDRDM-UHFFFAOYSA-N
- Formula
- C32H58O8
- SMILES
-
CCCCC(CC)COC(=O)CC(CC(=O)OCC(C
C)CCCC)(OC(C)=O)C(=O)OCC(CC)CC CC - Molecular Weight1
- 570.80
- CAS
- 144-15-0
- Other Names
-
- O-Acetyl tris(2-ethylhexyl)citrate
- Acetyl-tris-(2-ethylhexyl) citrate
- Citric acid, tris[2-ethylhexyl] ester, acetate
- tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 | 1.3313 | Relay (1.0) Calculated Property | |
| ΔfG° | -721.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1985.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.347 | Crippen Calculated Property | |
| McVol | 491.500 | ml/mol | McGowan Calculated Property |
| Pc | 605.77 | kPa | Joback Calculated Property |
| Tboil | 708.88 | K | Relay (1.0) Calculated Property |
| Tc | 876.37 | K | Relay (1.0) Calculated Property |
| Tfus | 248.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.797 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1804.53; 1830.58] | J/mol×K | [1232.17; 1596.89] | 
|
| Cp,gas | 1804.53 | J/mol×K | 1232.17 | Joback Calculated Property |
| Cp,gas | 1818.04 | J/mol×K | 1292.96 | Joback Calculated Property |
| Cp,gas | 1826.64 | J/mol×K | 1353.74 | Joback Calculated Property |
| Cp,gas | 1830.58 | J/mol×K | 1414.53 | Joback Calculated Property |
| Cp,gas | 1830.12 | J/mol×K | 1475.31 | Joback Calculated Property |
| Cp,gas | 1825.51 | J/mol×K | 1536.10 | Joback Calculated Property |
| Cp,gas | 1816.99 | J/mol×K | 1596.89 | Joback Calculated Property |
| η | [0.0000019; 0.0000477] | Pa×s | [696.46; 1232.17] |
|
| η | 0.0000477 | Pa×s | 696.46 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 785.74 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 875.03 | Joback Calculated Property |
| η | 0.0000061 | Pa×s | 964.32 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 1053.60 | Joback Calculated Property |
| η | 0.0000027 | Pa×s | 1142.88 | Joback Calculated Property |
| η | 0.0000019 | Pa×s | 1232.17 | Joback Calculated Property |
Similar Compounds
Sources
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