- InChI
- InChI=1S/C21H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-20(23)15-16-21(24)26-19(3)18(2)22/h15-16,19H,4-14,17H2,1-3H3/b16-15+
- InChI Key
- UHFHZYBUDDBCBR-FOCLMDBBSA-N
- Formula
- C21H36O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OC(
C)C(C)=O - Molecular Weight1
- 368.51
- 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).
- 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° | -393.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -967.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 4.918 | Crippen Calculated Property | |
| McVol | 318.900 | ml/mol | McGowan Calculated Property |
| Pc | 1097.17 | kPa | Joback Calculated Property |
| Inp | 2559.00 | NIST | |
| Tboil | 890.05 | K | Joback Calculated Property |
| Tc | 1090.41 | K | Joback Calculated Property |
| Tfus | 500.60 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1026.10; 1109.64] | J/mol×K | [890.05; 1090.41] | 
|
| Cp,gas | 1026.10 | J/mol×K | 890.05 | Joback Calculated Property |
| Cp,gas | 1042.79 | J/mol×K | 923.44 | Joback Calculated Property |
| Cp,gas | 1058.32 | J/mol×K | 956.84 | Joback Calculated Property |
| Cp,gas | 1072.74 | J/mol×K | 990.23 | Joback Calculated Property |
| Cp,gas | 1086.08 | J/mol×K | 1023.63 | Joback Calculated Property |
| Cp,gas | 1098.37 | J/mol×K | 1057.02 | Joback Calculated Property |
| Cp,gas | 1109.64 | J/mol×K | 1090.41 | Joback Calculated Property |
| η | [0.0000348; 0.0006142] | Pa×s | [500.60; 890.05] |
|
| η | 0.0006142 | Pa×s | 500.60 | Joback Calculated Property |
| η | 0.0002892 | Pa×s | 565.51 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 630.42 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 695.33 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 760.23 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 825.14 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 890.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-oxobut-2-yl tridecyl ester.
Sources
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