- InChI
- InChI=1S/C14H7ClFNO2/c15-12-3-1-2-11(13(12)16)14(18)19-10-6-4-9(8-17)5-7-10/h1-7H
- InChI Key
- RJQISSUFUKXVBN-UHFFFAOYSA-N
- Formula
- C14H7ClFNO2
- SMILES
-
N#Cc1ccc(OC(=O)c2cccc(Cl)c2F)c
c1 - Molecular Weight1
- 275.66
- 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° | -44.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 3.570 | Crippen Calculated Property | |
| McVol | 183.430 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | 2258.00 | NIST | |
| Tboil | 803.09 | K | Joback Calculated Property |
| Tc | 1049.78 | K | Joback Calculated Property |
| Tfus | 505.60 | K | Joback Calculated Property |
| Vc | 0.721 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.48; 501.03] | J/mol×K | [803.09; 1049.78] | 
|
| Cp,gas | 457.48 | J/mol×K | 803.09 | Joback Calculated Property |
| Cp,gas | 467.02 | J/mol×K | 844.21 | Joback Calculated Property |
| Cp,gas | 475.61 | J/mol×K | 885.32 | Joback Calculated Property |
| Cp,gas | 483.27 | J/mol×K | 926.44 | Joback Calculated Property |
| Cp,gas | 490.04 | J/mol×K | 967.55 | Joback Calculated Property |
| Cp,gas | 495.95 | J/mol×K | 1008.67 | Joback Calculated Property |
| Cp,gas | 501.03 | J/mol×K | 1049.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-cyanophenyl ester.
Sources
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