- InChI
- InChI=1S/C25H44O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-8-6-4-2/h6,8,20-21H,3-5,7,9-19,22-23H2,1-2H3/b8-6+,21-20+
- InChI Key
- QVFWFVMMAAFYLT-GIWBTWJXSA-N
- Formula
- C25H44O4
- SMILES
-
CCC=CCCOC(=O)C=CC(=O)OCCCCCCCC
CCCCCCC - Molecular Weight1
- 408.61
- ω : Acentric Factor.
- 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).
- 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 | 1.1233 | Relay (... Calculated Property | |
| ΔfG° | -147.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1002.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 66.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.48 | eV | Relay (... Calculated Property |
| log10WS | -7.46 | Relay (... Calculated Property | |
| logPoct/wat | 7.076 | Crippen Calculated Property | |
| McVol | 369.390 | ml/mol | McGowan Calculated Property |
| Pc | 853.96 | kPa | Joback Calculated Property |
| Inp | 2863.00 | NIST | |
| Tboil | 644.82 | K | Relay (... Calculated Property |
| Tc | 823.40 | K | Relay (... Calculated Property |
| Tfus | 280.51 | K | Relay (... Calculated Property |
| Vc | 1.374 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.29; 1326.26] | J/mol×K | [932.30; 1142.51] | 
|
| Cp,gas | 1226.29 | J/mol×K | 932.30 | Joback Calculated Property |
| Cp,gas | 1245.86 | J/mol×K | 967.33 | Joback Calculated Property |
| Cp,gas | 1264.18 | J/mol×K | 1002.37 | Joback Calculated Property |
| Cp,gas | 1281.31 | J/mol×K | 1037.40 | Joback Calculated Property |
| Cp,gas | 1297.32 | J/mol×K | 1072.44 | Joback Calculated Property |
| Cp,gas | 1312.29 | J/mol×K | 1107.47 | Joback Calculated Property |
| Cp,gas | 1326.26 | J/mol×K | 1142.51 | Joback Calculated Property |
| η | [0.0000193; 0.0004022] | Pa×s | [505.67; 932.30] |
|
| η | 0.0004022 | Pa×s | 505.67 | Joback Calculated Property |
| η | 0.0001776 | Pa×s | 576.77 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 647.88 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 718.99 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 790.09 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 861.20 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 932.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentadecyl trans-hex-3-enyl ester.
Sources
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