- InChI
- InChI=1S/C22H40O4/c1-6-7-8-9-10-11-12-13-14-17-25-20(23)15-16-21(24)26-22(18(2)3)19(4)5/h15-16,18-19,22H,6-14,17H2,1-5H3/b16-15+
- InChI Key
- NLQHFNWCOXBYBB-FOCLMDBBSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OC(C(
C)C)C(C)C - Molecular Weight1
- 368.55
- 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° | -260.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -885.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 5.840 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 1000.18 | kPa | Joback Calculated Property |
| Inp | [2424.00; 2424.00] |
|
|
| Inp | 2424.00 | NIST | |
| Inp | 2424.00 | NIST | |
| Tboil | 858.18 | K | Joback Calculated Property |
| Tc | 1052.55 | K | Joback Calculated Property |
| Tfus | 431.94 | K | Joback Calculated Property |
| Vc | 1.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.21; 1162.25] | J/mol×K | [858.18; 1052.55] |
|
| Cp,gas | 1067.21 | J/mol×K | 858.18 | Joback Calculated Property |
| Cp,gas | 1085.86 | J/mol×K | 890.58 | Joback Calculated Property |
| Cp,gas | 1103.33 | J/mol×K | 922.97 | Joback Calculated Property |
| Cp,gas | 1119.68 | J/mol×K | 955.37 | Joback Calculated Property |
| Cp,gas | 1134.92 | J/mol×K | 987.76 | Joback Calculated Property |
| Cp,gas | 1149.10 | J/mol×K | 1020.16 | Joback Calculated Property |
| Cp,gas | 1162.25 | J/mol×K | 1052.55 | Joback Calculated Property |
| η | [0.0000266; 0.0010648] | Pa×s | [431.94; 858.18] |
|
| η | 0.0010648 | Pa×s | 431.94 | Joback Calculated Property |
| η | 0.0003730 | Pa×s | 502.98 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 574.02 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 645.06 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 716.10 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 787.14 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 858.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl undecyl ester.
Sources
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