- InChI
- InChI=1S/C21H30O4/c1-3-5-7-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-8-6-4-2/h6,8,12-14,17H,3-5,7,9-11,15-16H2,1-2H3/b8-6+
- InChI Key
- JSUXCRKEYWSBRB-SOFGYWHQSA-N
- Formula
- C21H30O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
CCC)c1 - Molecular Weight1
- 346.46
- 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° | -158.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.55 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 5.327 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1299.53 | kPa | Joback Calculated Property |
| Inp | 2548.00 | NIST | |
| Tboil | 868.28 | K | Joback Calculated Property |
| Tc | 1073.05 | K | Joback Calculated Property |
| Tfus | 504.61 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [910.28; 989.75] | J/mol×K | [868.28; 1073.05] | 
|
| Cp,gas | 910.28 | J/mol×K | 868.28 | Joback Calculated Property |
| Cp,gas | 926.18 | J/mol×K | 902.41 | Joback Calculated Property |
| Cp,gas | 940.96 | J/mol×K | 936.54 | Joback Calculated Property |
| Cp,gas | 954.67 | J/mol×K | 970.67 | Joback Calculated Property |
| Cp,gas | 967.35 | J/mol×K | 1004.80 | Joback Calculated Property |
| Cp,gas | 979.03 | J/mol×K | 1038.92 | Joback Calculated Property |
| Cp,gas | 989.75 | J/mol×K | 1073.05 | Joback Calculated Property |
| η | [0.0000416; 0.0004944] | Pa×s | [504.61; 868.28] |
|
| η | 0.0004944 | Pa×s | 504.61 | Joback Calculated Property |
| η | 0.0002623 | Pa×s | 565.22 | Joback Calculated Property |
| η | 0.0001573 | Pa×s | 625.83 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 686.44 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 747.06 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 807.67 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 868.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl trans-hex-3-enyl ester.
Sources
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