- InChI
- InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-23(25)17-18-24(26)28-21-19-22(2)3/h17-18H,2,4-16,19-21H2,1,3H3/b18-17+
- InChI Key
- MIXKGVXNMGZURA-ISLYRVAYSA-N
- Formula
- C24H42O4
- SMILES
-
C=C(C)CCOC(=O)C=CC(=O)OCCCCCCC
CCCCCCCC - Molecular Weight1
- 394.59
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1174 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -969.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.686 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 901.26 | kPa | Joback Calculated Property |
| Inp | 2762.00 | NIST | |
| Tboil | 650.74 | K | Relay (1.0) Calculated Property |
| Tc | 815.34 | K | Relay (1.0) Calculated Property |
| Tfus | 294.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.327 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1161.27; 1257.93] | J/mol×K | [901.82; 1104.14] | 
|
| Cp,gas | 1161.27 | J/mol×K | 901.82 | Joback Calculated Property |
| Cp,gas | 1180.24 | J/mol×K | 935.54 | Joback Calculated Property |
| Cp,gas | 1198.01 | J/mol×K | 969.26 | Joback Calculated Property |
| Cp,gas | 1214.61 | J/mol×K | 1002.98 | Joback Calculated Property |
| Cp,gas | 1230.09 | J/mol×K | 1036.70 | Joback Calculated Property |
| Cp,gas | 1244.52 | J/mol×K | 1070.42 | Joback Calculated Property |
| Cp,gas | 1257.93 | J/mol×K | 1104.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbut-3-enyl pentadecyl ester.
Sources
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