- InChI
- InChI=1S/C20H28O4/c1-3-5-7-8-10-15-24-20(22)18-13-11-12-17(16-18)19(21)23-14-9-6-4-2/h4,11-13,16H,2-3,5-10,14-15H2,1H3
- InChI Key
- HZEGGFKQKXDBGD-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
CC)c1 - 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° | -159.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -595.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.69 | 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 | 1384.02 | kPa | Joback Calculated Property |
| Inp | 2451.00 | NIST | |
| Tboil | 837.92 | K | Joback Calculated Property |
| Tc | 1039.38 | K | Joback Calculated Property |
| Tfus | 496.66 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.45; 928.45] | J/mol×K | [837.92; 1039.38] | 
|
| Cp,gas | 850.45 | J/mol×K | 837.92 | Joback Calculated Property |
| Cp,gas | 866.10 | J/mol×K | 871.50 | Joback Calculated Property |
| Cp,gas | 880.65 | J/mol×K | 905.07 | Joback Calculated Property |
| Cp,gas | 894.14 | J/mol×K | 938.65 | Joback Calculated Property |
| Cp,gas | 906.58 | J/mol×K | 972.22 | Joback Calculated Property |
| Cp,gas | 918.01 | J/mol×K | 1005.80 | Joback Calculated Property |
| Cp,gas | 928.45 | J/mol×K | 1039.38 | Joback Calculated Property |
| η | [0.0000586; 0.0006053] | Pa×s | [496.66; 837.92] |
|
| η | 0.0006053 | Pa×s | 496.66 | Joback Calculated Property |
| η | 0.0003358 | Pa×s | 553.54 | Joback Calculated Property |
| η | 0.0002080 | Pa×s | 610.41 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 667.29 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 724.17 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 781.04 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 837.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl pent-4-enyl ester.
Sources
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