- InChI
- InChI=1S/C17H7Cl2F5O4/c18-8-2-1-3-9(12(8)19)28-11(26)5-4-10(25)27-6-7-13(20)15(22)17(24)16(23)14(7)21/h1-5H,6H2/b5-4+
- InChI Key
- VTLHXUPVNYGRDE-SNAWJCMRSA-N
- Formula
- C17H7Cl2F5O4
- SMILES
-
O=C(C=CC(=O)Oc1cccc(Cl)c1Cl)OC
c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 441.13
- 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 | 0.8570 | Relay (1.0) Calculated Property | |
| ΔfG° | -1135.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1262.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.894 | Crippen Calculated Property | |
| McVol | 246.780 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | 2493.00 | NIST | |
| Tboil | 632.20 | K | Relay (1.0) Calculated Property |
| Tc | 884.57 | K | Relay (1.0) Calculated Property |
| Tfus | 366.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.78; 690.32] | J/mol×K | [904.53; 1120.68] | 
|
| Cp,gas | 654.78 | J/mol×K | 904.53 | Joback Calculated Property |
| Cp,gas | 662.92 | J/mol×K | 940.56 | Joback Calculated Property |
| Cp,gas | 670.16 | J/mol×K | 976.58 | Joback Calculated Property |
| Cp,gas | 676.51 | J/mol×K | 1012.61 | Joback Calculated Property |
| Cp,gas | 681.98 | J/mol×K | 1048.63 | Joback Calculated Property |
| Cp,gas | 686.58 | J/mol×K | 1084.66 | Joback Calculated Property |
| Cp,gas | 690.32 | J/mol×K | 1120.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester.
Sources
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