- InChI
- InChI=1S/C14H11F5O4/c1-2-3-6-22-7(20)4-5-8(21)23-14-12(18)10(16)9(15)11(17)13(14)19/h4-5H,2-3,6H2,1H3/b5-4+
- InChI Key
- YAQIBRZVZVTJQZ-SNAWJCMRSA-N
- Formula
- C14H11F5O4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1c(F)c(F)c
(F)c(F)c1F - Molecular Weight1
- 338.23
- 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).
- 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° | -1230.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1506.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.187 | Crippen Calculated Property | |
| McVol | 203.790 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | 1652.00 | NIST | |
| Tboil | 724.39 | K | Joback Calculated Property |
| Tc | 907.10 | K | Joback Calculated Property |
| Tfus | 478.75 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.44; 607.57] | J/mol×K | [724.39; 907.10] | 
|
| Cp,gas | 551.44 | J/mol×K | 724.39 | Joback Calculated Property |
| Cp,gas | 562.32 | J/mol×K | 754.84 | Joback Calculated Property |
| Cp,gas | 572.60 | J/mol×K | 785.29 | Joback Calculated Property |
| Cp,gas | 582.26 | J/mol×K | 815.74 | Joback Calculated Property |
| Cp,gas | 591.31 | J/mol×K | 846.19 | Joback Calculated Property |
| Cp,gas | 599.75 | J/mol×K | 876.65 | Joback Calculated Property |
| Cp,gas | 607.57 | J/mol×K | 907.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl pentafluorophenyl ester.
Sources
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