- InChI
- InChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-11-12-16-23-19(21)13-14-20(22)24-17-15-18(2)3/h13-14H,2,4-12,15-17H2,1,3H3/b14-13+
- InChI Key
- VWMDQEGIJATUJW-BUHFOSPRSA-N
- Formula
- C20H34O4
- SMILES
-
C=C(C)CCOC(=O)C=CC(=O)OCCCCCCC
CCCC - Molecular Weight1
- 338.48
- 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° | -190.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 5.126 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1151.44 | kPa | Joback Calculated Property |
| Inp | 2364.00 | NIST | |
| Tboil | 810.30 | K | Joback Calculated Property |
| Tc | 997.87 | K | Joback Calculated Property |
| Tfus | 438.68 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.54; 1005.99] | J/mol×K | [810.30; 997.87] | 
|
| Cp,gas | 916.54 | J/mol×K | 810.30 | Joback Calculated Property |
| Cp,gas | 933.77 | J/mol×K | 841.56 | Joback Calculated Property |
| Cp,gas | 950.03 | J/mol×K | 872.82 | Joback Calculated Property |
| Cp,gas | 965.35 | J/mol×K | 904.08 | Joback Calculated Property |
| Cp,gas | 979.76 | J/mol×K | 935.35 | Joback Calculated Property |
| Cp,gas | 993.30 | J/mol×K | 966.61 | Joback Calculated Property |
| Cp,gas | 1005.99 | J/mol×K | 997.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbut-3-enyl undecyl ester.
Sources
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