- InChI
- InChI=1S/C22H40O4/c1-3-5-7-8-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-6-4-2/h17-18H,3-16,19-20H2,1-2H3/b18-17+
- InChI Key
- PLBGBCRZNSXECB-ISLYRVAYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OCC
CCC - Molecular Weight1
- 368.55
- 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 | 1.1000 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.130 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 985.16 | kPa | Joback Calculated Property |
| Inp | [2585.00; 2585.00] |
|
|
| Inp | 2585.00 | NIST | |
| Inp | 2585.00 | NIST | |
| Tboil | 621.18 | K | Relay (1.0) Calculated Property |
| Tc | 798.54 | K | Relay (1.0) Calculated Property |
| Tfus | 298.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.82; 1161.02] | J/mol×K | [859.50; 1052.62] |
|
| Cp,gas | 1065.82 | J/mol×K | 859.50 | Joback Calculated Property |
| Cp,gas | 1084.38 | J/mol×K | 891.69 | Joback Calculated Property |
| Cp,gas | 1101.82 | J/mol×K | 923.87 | Joback Calculated Property |
| Cp,gas | 1118.16 | J/mol×K | 956.06 | Joback Calculated Property |
| Cp,gas | 1133.46 | J/mol×K | 988.25 | Joback Calculated Property |
| Cp,gas | 1147.73 | J/mol×K | 1020.43 | Joback Calculated Property |
| Cp,gas | 1161.02 | J/mol×K | 1052.62 | Joback Calculated Property |
| η | [0.0000347; 0.0006226] | Pa×s | [476.94; 859.50] |
|
| η | 0.0006226 | Pa×s | 476.94 | Joback Calculated Property |
| η | 0.0002897 | Pa×s | 540.70 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 604.46 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 668.22 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 731.98 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 795.74 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 859.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentyl tridecyl ester.
Sources
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