- InChI
- InChI=1S/C19H20ClF5O4/c20-9-5-3-1-2-4-6-10-28-13(26)7-8-14(27)29-11-12-15(21)17(23)19(25)18(24)16(12)22/h7-8H,1-6,9-11H2/b8-7+
- InChI Key
- MVLMMLFTGSPJTM-BQYQJAHWSA-N
- Formula
- C19H20ClF5O4
- SMILES
-
O=C(C=CC(=O)OCc1c(F)c(F)c(F)c(
F)c1F)OCCCCCCCCCl - Molecular Weight1
- 442.81
- 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 | 1.0237 | Relay (1.0) Calculated Property | |
| ΔfG° | -1200.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1513.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.104 | Crippen Calculated Property | |
| McVol | 286.480 | ml/mol | McGowan Calculated Property |
| Pc | 1185.79 | kPa | Joback Calculated Property |
| Inp | 2550.00 | NIST | |
| Tboil | 619.57 | K | Relay (1.0) Calculated Property |
| Tc | 815.60 | K | Relay (1.0) Calculated Property |
| Tfus | 337.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.033 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.71; 912.92] | J/mol×K | [876.22; 1073.57] | 
|
| Cp,gas | 851.71 | J/mol×K | 876.22 | Joback Calculated Property |
| Cp,gas | 864.21 | J/mol×K | 909.11 | Joback Calculated Property |
| Cp,gas | 875.77 | J/mol×K | 942.00 | Joback Calculated Property |
| Cp,gas | 886.41 | J/mol×K | 974.90 | Joback Calculated Property |
| Cp,gas | 896.13 | J/mol×K | 1007.79 | Joback Calculated Property |
| Cp,gas | 904.96 | J/mol×K | 1040.68 | Joback Calculated Property |
| Cp,gas | 912.92 | J/mol×K | 1073.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentafluorobenzyl 8-chlorooctyl ester.
Sources
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