- InChI
- InChI=1S/C16H15F5O4/c1-2-3-4-5-8-24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6-7H,2-5,8H2,1H3/b7-6+
- InChI Key
- XHTMSMWXTASNIS-VOTSOKGWSA-N
- Formula
- C16H15F5O4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)Oc1c(F)c(F
)c(F)c(F)c1F - Molecular Weight1
- 366.28
- 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 | 0.8855 | Relay (1.0) Calculated Property | |
| ΔfG° | -1213.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1435.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.967 | Crippen Calculated Property | |
| McVol | 231.970 | ml/mol | McGowan Calculated Property |
| Pc | 1503.48 | kPa | Joback Calculated Property |
| Inp | [1862.00; 1862.00] |
|
|
| Inp | 1862.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Tboil | 554.54 | K | Relay (1.0) Calculated Property |
| Tc | 749.41 | K | Relay (1.0) Calculated Property |
| Tfus | 298.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.42; 719.50] | J/mol×K | [770.15; 953.91] |
|
| Cp,gas | 658.42 | J/mol×K | 770.15 | Joback Calculated Property |
| Cp,gas | 670.37 | J/mol×K | 800.78 | Joback Calculated Property |
| Cp,gas | 681.61 | J/mol×K | 831.40 | Joback Calculated Property |
| Cp,gas | 692.14 | J/mol×K | 862.03 | Joback Calculated Property |
| Cp,gas | 701.96 | J/mol×K | 892.66 | Joback Calculated Property |
| Cp,gas | 711.08 | J/mol×K | 923.29 | Joback Calculated Property |
| Cp,gas | 719.50 | J/mol×K | 953.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl pentafluorophenyl ester.
Sources
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