- InChI
- InChI=1S/C17H17F5O4/c1-2-3-4-5-6-9-25-10(23)7-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h7-8H,2-6,9H2,1H3/b8-7+
- InChI Key
- VYWNVCVRWCIBPZ-BQYQJAHWSA-N
- Formula
- C17H17F5O4
- SMILES
-
CCCCCCCOC(=O)C=CC(=O)Oc1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 380.31
- 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° | -1205.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1567.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.21 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 4.357 | Crippen Calculated Property | |
| McVol | 246.060 | ml/mol | McGowan Calculated Property |
| Pc | 1397.50 | kPa | Joback Calculated Property |
| Inp | 1958.00 | NIST | |
| Tboil | 793.03 | K | Joback Calculated Property |
| Tc | 978.23 | K | Joback Calculated Property |
| Tfus | 512.56 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.57; 776.80] | J/mol×K | [793.03; 978.23] | 
|
| Cp,gas | 713.57 | J/mol×K | 793.03 | Joback Calculated Property |
| Cp,gas | 726.01 | J/mol×K | 823.90 | Joback Calculated Property |
| Cp,gas | 737.68 | J/mol×K | 854.76 | Joback Calculated Property |
| Cp,gas | 748.59 | J/mol×K | 885.63 | Joback Calculated Property |
| Cp,gas | 758.74 | J/mol×K | 916.50 | Joback Calculated Property |
| Cp,gas | 768.14 | J/mol×K | 947.37 | Joback Calculated Property |
| Cp,gas | 776.80 | J/mol×K | 978.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl pentafluorophenyl ester.
Sources
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