- InChI
- InChI=1S/C14H8FNO2/c15-12-5-3-11(4-6-12)14(17)18-13-7-1-10(9-16)2-8-13/h1-8H
- InChI Key
- TWHFGFUEZBZGKR-UHFFFAOYSA-N
- Formula
- C14H8FNO2
- SMILES
- N#Cc1ccc(OC(=O)c2ccc(F)cc2)cc1
- Molecular Weight1
- 241.22
- 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° | -22.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 2.917 | Crippen Calculated Property | |
| McVol | 171.190 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 760.68 | K | Joback Calculated Property |
| Tc | 1004.63 | K | Joback Calculated Property |
| Tfus | 463.16 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.52; 490.21] | J/mol×K | [760.68; 1004.63] |
|
| Cp,gas | 439.52 | J/mol×K | 760.68 | Joback Calculated Property |
| Cp,gas | 450.33 | J/mol×K | 801.34 | Joback Calculated Property |
| Cp,gas | 460.14 | J/mol×K | 842.00 | Joback Calculated Property |
| Cp,gas | 469.00 | J/mol×K | 882.66 | Joback Calculated Property |
| Cp,gas | 476.94 | J/mol×K | 923.31 | Joback Calculated Property |
| Cp,gas | 484.00 | J/mol×K | 963.97 | Joback Calculated Property |
| Cp,gas | 490.21 | J/mol×K | 1004.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzoic acid, 4-cyanophenyl ester.
Sources
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