- InChI
- InChI=1S/C24H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-17(30)14-15-18(31)33-24-22(28)20(26)19(25)21(27)23(24)29/h14-15H,2-13,16H2,1H3/b15-14+
- InChI Key
- LOKAYIIQECNIRC-CCEZHUSRSA-N
- Formula
- C24H31F5O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C=CC(=O)Oc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 478.49
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1891 | Relay (1.0) Calculated Property | |
| ΔfG° | -1146.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1588.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.088 | Crippen Calculated Property | |
| McVol | 344.690 | ml/mol | McGowan Calculated Property |
| Pc | 892.67 | kPa | Joback Calculated Property |
| Inp | [2618.00; 2618.00] |
|
|
| Inp | 2618.00 | NIST | |
| Inp | 2618.00 | NIST | |
| Tboil | 633.50 | K | Relay (1.0) Calculated Property |
| Tc | 820.59 | K | Relay (1.0) Calculated Property |
| Tfus | 326.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.282 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.50; 1198.44] | J/mol×K | [953.19; 1171.15] |
|
| Cp,gas | 1123.50 | J/mol×K | 953.19 | Joback Calculated Property |
| Cp,gas | 1139.29 | J/mol×K | 989.52 | Joback Calculated Property |
| Cp,gas | 1153.72 | J/mol×K | 1025.84 | Joback Calculated Property |
| Cp,gas | 1166.81 | J/mol×K | 1062.17 | Joback Calculated Property |
| Cp,gas | 1178.61 | J/mol×K | 1098.50 | Joback Calculated Property |
| Cp,gas | 1189.14 | J/mol×K | 1134.83 | Joback Calculated Property |
| Cp,gas | 1198.44 | J/mol×K | 1171.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentafluorophenyl tetradecyl ester.
Sources
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