- InChI
- InChI=1S/C20H28O4/c1-4-5-6-7-13-23-19(21)17-11-8-12-18(15-17)20(22)24-14-9-10-16(2)3/h5-6,8,11-12,15-16H,4,7,9-10,13-14H2,1-3H3/b6-5+
- InChI Key
- WKAUDIAUJOXYSZ-AATRIKPKSA-N
- Formula
- C20H28O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
(C)C)c1 - Molecular Weight1
- 332.43
- 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).
- 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 | 0.8810 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.793 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Pc | 1402.74 | kPa | Joback Calculated Property |
| Inp | 2394.00 | NIST | |
| Tboil | 640.32 | K | Relay (1.0) Calculated Property |
| Tc | 831.16 | K | Relay (1.0) Calculated Property |
| Tfus | 269.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.005 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.79; 930.72] | J/mol×K | [844.96; 1051.07] | 
|
| Cp,gas | 851.79 | J/mol×K | 844.96 | Joback Calculated Property |
| Cp,gas | 867.60 | J/mol×K | 879.31 | Joback Calculated Property |
| Cp,gas | 882.29 | J/mol×K | 913.66 | Joback Calculated Property |
| Cp,gas | 895.92 | J/mol×K | 948.02 | Joback Calculated Property |
| Cp,gas | 908.51 | J/mol×K | 982.37 | Joback Calculated Property |
| Cp,gas | 920.09 | J/mol×K | 1016.72 | Joback Calculated Property |
| Cp,gas | 930.72 | J/mol×K | 1051.07 | Joback Calculated Property |
| η | [0.0000438; 0.0006226] | Pa×s | [478.34; 844.96] |
|
| η | 0.0006226 | Pa×s | 478.34 | Joback Calculated Property |
| η | 0.0003113 | Pa×s | 539.44 | Joback Calculated Property |
| η | 0.0001793 | Pa×s | 600.55 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 661.65 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 722.75 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 783.86 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 844.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl trans-hex-3-enyl ester.
Sources
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