- InChI
- InChI=1S/C16H9ClFNO6/c17-10-4-3-5-11(18)16(10)25-15(21)9-8-14(20)24-13-7-2-1-6-12(13)19(22)23/h1-9H/b9-8+
- InChI Key
- OVJSILMFDDUUBF-CMDGGOBGSA-N
- Formula
- C16H9ClFNO6
- SMILES
-
O=C(C=CC(=O)Oc1c(F)cccc1Cl)Oc1
ccccc1[N+](=O)[O-] - Molecular Weight1
- 365.70
- 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 | 0.8542 | Relay (... Calculated Property | |
| ΔfG° | -279.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.21 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -5.38 | Relay (... Calculated Property | |
| logPoct/wat | 3.454 | Crippen Calculated Property | |
| McVol | 230.790 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | 2656.00 | NIST | |
| Tboil | 625.92 | K | Relay (... Calculated Property |
| Tc | 963.78 | K | Relay (... Calculated Property |
| Tfus | 365.42 | K | Relay (... Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.79; 670.01] | J/mol×K | [979.06; 1233.96] | 
|
| Cp,gas | 640.79 | J/mol×K | 979.06 | Joback Calculated Property |
| Cp,gas | 648.31 | J/mol×K | 1021.54 | Joback Calculated Property |
| Cp,gas | 654.69 | J/mol×K | 1064.03 | Joback Calculated Property |
| Cp,gas | 660.01 | J/mol×K | 1106.51 | Joback Calculated Property |
| Cp,gas | 664.30 | J/mol×K | 1148.99 | Joback Calculated Property |
| Cp,gas | 667.61 | J/mol×K | 1191.48 | Joback Calculated Property |
| Cp,gas | 670.01 | J/mol×K | 1233.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-nitrophenyl 2-chloro-6-fluorophenyl ester.
Sources
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