- InChI
- InChI=1S/C20H30O4/c1-4-5-6-7-10-23-18(21)8-9-19(22)24-14-15-11-16-13-17(12-15)20(16,2)3/h8-9,11,16-17H,4-7,10,12-14H2,1-3H3/b9-8+
- InChI Key
- QYQZUXPYFDWJAY-CMDGGOBGSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)OCC1=CC2CC
(C1)C2(C)C - Molecular Weight1
- 334.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -153.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.202 | Crippen Calculated Property | |
| McVol | 277.220 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Inp | 2354.00 | NIST | |
| Tboil | 831.20 | K | Joback Calculated Property |
| Tc | 1035.98 | K | Joback Calculated Property |
| Tfus | 519.70 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.98; 995.13] | J/mol×K | [831.20; 1035.98] | 
|
| Cp,gas | 886.98 | J/mol×K | 831.20 | Joback Calculated Property |
| Cp,gas | 905.81 | J/mol×K | 865.33 | Joback Calculated Property |
| Cp,gas | 924.14 | J/mol×K | 899.46 | Joback Calculated Property |
| Cp,gas | 942.10 | J/mol×K | 933.59 | Joback Calculated Property |
| Cp,gas | 959.83 | J/mol×K | 967.72 | Joback Calculated Property |
| Cp,gas | 977.46 | J/mol×K | 1001.85 | Joback Calculated Property |
| Cp,gas | 995.13 | J/mol×K | 1035.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl myrtenyl ester.
Sources
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