- InChI
- InChI=1S/C20H28O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h5,7,9-10,13-14H,3-4,6,8,11-12,15-16H2,1-2H3/b7-5+
- InChI Key
- BNURUOWZODZXSR-FNORWQNLSA-N
- Formula
- C20H28O4
- SMILES
-
CCC=CCCOC(=O)c1ccccc1C(=O)OCCC
CCC - Molecular Weight1
- 332.43
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -167.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.32 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 4.937 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | 2312.00 | NIST | |
| Tboil | 845.40 | K | Joback Calculated Property |
| Tc | 1049.53 | K | Joback Calculated Property |
| Tfus | 493.34 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.27; 929.83] | J/mol×K | [845.40; 1049.53] | 
|
| Cp,gas | 851.27 | J/mol×K | 845.40 | Joback Calculated Property |
| Cp,gas | 866.94 | J/mol×K | 879.42 | Joback Calculated Property |
| Cp,gas | 881.53 | J/mol×K | 913.44 | Joback Calculated Property |
| Cp,gas | 895.08 | J/mol×K | 947.46 | Joback Calculated Property |
| Cp,gas | 907.62 | J/mol×K | 981.48 | Joback Calculated Property |
| Cp,gas | 919.19 | J/mol×K | 1015.50 | Joback Calculated Property |
| Cp,gas | 929.83 | J/mol×K | 1049.53 | Joback Calculated Property |
| η | [0.0000478; 0.0005474] | Pa×s | [493.34; 845.40] |
|
| η | 0.0005474 | Pa×s | 493.34 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 552.02 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 610.69 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 669.37 | Joback Calculated Property |
| η | 0.0000829 | Pa×s | 728.05 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 786.72 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 845.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexyl trans-hex-3-enyl ester.
Sources
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