- InChI
- InChI=1S/C22H38O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)16-17-22(24)26-19-20(3)15-5-2/h13-14,16-17,20H,4-12,15,18-19H2,1-3H3/b14-13+,17-16+
- InChI Key
- CNZKTZSJMXPTQV-VLDVYECUSA-N
- Formula
- C22H38O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)C=CC(=O)OCC
(C)CCC - Molecular Weight1
- 366.53
- 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° | -175.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -757.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.762 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1023.34 | kPa | Joback Calculated Property |
| Inp | [2535.00; 2535.00] |
|
|
| Inp | 2535.00 | NIST | |
| Inp | 2535.00 | NIST | |
| Tboil | 863.22 | K | Joback Calculated Property |
| Tc | 1058.48 | K | Joback Calculated Property |
| Tfus | 456.86 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.88; 1133.05] | J/mol×K | [863.22; 1058.48] |
|
| Cp,gas | 1039.88 | J/mol×K | 863.22 | Joback Calculated Property |
| Cp,gas | 1057.91 | J/mol×K | 895.76 | Joback Calculated Property |
| Cp,gas | 1074.88 | J/mol×K | 928.31 | Joback Calculated Property |
| Cp,gas | 1090.83 | J/mol×K | 960.85 | Joback Calculated Property |
| Cp,gas | 1105.82 | J/mol×K | 993.40 | Joback Calculated Property |
| Cp,gas | 1119.87 | J/mol×K | 1025.94 | Joback Calculated Property |
| Cp,gas | 1133.05 | J/mol×K | 1058.48 | Joback Calculated Property |
| η | [0.0000277; 0.0006816] | Pa×s | [456.86; 863.22] |
|
| η | 0.0006816 | Pa×s | 456.86 | Joback Calculated Property |
| η | 0.0002831 | Pa×s | 524.59 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 592.31 | Joback Calculated Property |
| η | 0.0000839 | Pa×s | 660.04 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 727.77 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 795.49 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 863.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl dodec-2-en-1-yl ester.
Sources
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