- InChI
- InChI=1S/C21H38O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+
- InChI Key
- QSXWKTIUGHXXMP-WUKNDPDISA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OCC
CC - Molecular Weight1
- 354.52
- 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 | 1.0631 | Relay (... Calculated Property | |
| ΔfG° | -261.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.12 | kJ/mol | Relay (... Calculated Property |
| IE | 9.95 | eV | Relay (... Calculated Property |
| log10WS | -6.59 | Relay (... Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1047.33 | kPa | Joback Calculated Property |
| Inp | 2485.00 | NIST | |
| Tboil | 614.27 | K | Relay (... Calculated Property |
| Tc | 789.80 | K | Relay (... Calculated Property |
| Tfus | 290.99 | K | Relay (... Calculated Property |
| Vc | 1.213 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.47; 1097.88] | J/mol×K | [836.62; 1025.83] | 
|
| Cp,gas | 1004.47 | J/mol×K | 836.62 | Joback Calculated Property |
| Cp,gas | 1022.57 | J/mol×K | 868.16 | Joback Calculated Property |
| Cp,gas | 1039.63 | J/mol×K | 899.69 | Joback Calculated Property |
| Cp,gas | 1055.65 | J/mol×K | 931.23 | Joback Calculated Property |
| Cp,gas | 1070.69 | J/mol×K | 962.76 | Joback Calculated Property |
| Cp,gas | 1084.75 | J/mol×K | 994.30 | Joback Calculated Property |
| Cp,gas | 1097.88 | J/mol×K | 1025.83 | Joback Calculated Property |
| η | [0.0000401; 0.0006985] | Pa×s | [465.67; 836.62] |
|
| η | 0.0006985 | Pa×s | 465.67 | Joback Calculated Property |
| η | 0.0003282 | Pa×s | 527.50 | Joback Calculated Property |
| η | 0.0001807 | Pa×s | 589.32 | Joback Calculated Property |
| η | 0.0001114 | Pa×s | 651.14 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 712.97 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 774.80 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 836.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl tridecyl ester.
Sources
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