- InChI
- InChI=1S/C20H28O4/c1-3-4-6-10-17(2)24-20(22)15-14-19(21)23-16-9-13-18-11-7-5-8-12-18/h5,7-8,11-12,14-15,17H,3-4,6,9-10,13,16H2,1-2H3/b15-14+
- InChI Key
- WKGVBLZVHDACSF-CCEZHUSRSA-N
- Formula
- C20H28O4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)OCCCc1c
cccc1 - 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° | -160.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 4.231 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Inp | [2405.00; 2405.00] |
|
|
| Inp | 2405.00 | NIST | |
| Inp | 2405.00 | NIST | |
| Tboil | 839.98 | K | Joback Calculated Property |
| Tc | 1045.27 | K | Joback Calculated Property |
| Tfus | 465.82 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.53; 932.05] | J/mol×K | [839.98; 1045.27] |
|
| Cp,gas | 852.53 | J/mol×K | 839.98 | Joback Calculated Property |
| Cp,gas | 868.41 | J/mol×K | 874.19 | Joback Calculated Property |
| Cp,gas | 883.19 | J/mol×K | 908.41 | Joback Calculated Property |
| Cp,gas | 896.90 | J/mol×K | 942.62 | Joback Calculated Property |
| Cp,gas | 909.59 | J/mol×K | 976.84 | Joback Calculated Property |
| Cp,gas | 921.29 | J/mol×K | 1011.05 | Joback Calculated Property |
| Cp,gas | 932.05 | J/mol×K | 1045.27 | Joback Calculated Property |
| η | [0.0000432; 0.0007457] | Pa×s | [465.82; 839.98] |
|
| η | 0.0007457 | Pa×s | 465.82 | Joback Calculated Property |
| η | 0.0003506 | Pa×s | 528.18 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 590.54 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 652.90 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 715.26 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 777.62 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 839.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-phenylpropyl hept-2-yl ester.
Sources
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