- InChI
- InChI=1S/C22H40O4/c1-7-8-9-10-11-12-13-19(3)26-21(24)15-14-20(23)25-17-18(2)16-22(4,5)6/h14-15,18-19H,7-13,16-17H2,1-6H3/b15-14+
- InChI Key
- QEQSFFFLNFKJIU-CCEZHUSRSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCC(C)OC(=O)C=CC(=O)OCC(
C)CC(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° | -255.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -889.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.76 | 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 | 1007.17 | kPa | Joback Calculated Property |
| Inp | [2330.00; 2330.00] |
|
|
| Inp | 2330.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Tboil | 855.39 | K | Joback Calculated Property |
| Tc | 1050.84 | K | Joback Calculated Property |
| Tfus | 449.36 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1067.29; 1162.64] | J/mol×K | [855.39; 1050.84] |
|
| Cp,gas | 1067.29 | J/mol×K | 855.39 | Joback Calculated Property |
| Cp,gas | 1085.84 | J/mol×K | 887.96 | Joback Calculated Property |
| Cp,gas | 1103.27 | J/mol×K | 920.54 | Joback Calculated Property |
| Cp,gas | 1119.61 | J/mol×K | 953.11 | Joback Calculated Property |
| Cp,gas | 1134.92 | J/mol×K | 985.69 | Joback Calculated Property |
| Cp,gas | 1149.24 | J/mol×K | 1018.26 | Joback Calculated Property |
| Cp,gas | 1162.64 | J/mol×K | 1050.84 | Joback Calculated Property |
| η | [0.0000229; 0.0008403] | Pa×s | [449.36; 855.39] |
|
| η | 0.0008403 | Pa×s | 449.36 | Joback Calculated Property |
| η | 0.0003111 | Pa×s | 517.03 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 584.70 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 652.38 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 720.05 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 787.72 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 855.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl dec-2-yl ester.
Sources
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