- InChI
- InChI=1S/C14H11ClFNO/c1-9-4-2-5-10(8-9)17-14(18)11-6-3-7-12(15)13(11)16/h2-8H,1H3,(H,17,18)
- InChI Key
- KQQJPHQPJVMMHF-UHFFFAOYSA-N
- Formula
- C14H11ClFNO
- SMILES
- Cc1cccc(NC(=O)c2cccc(Cl)c2F)c1
- Molecular Weight1
- 263.69
- 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 | 0.6351 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 186.160 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | [2232.00; 2232.00] |
|
|
| Inp | 2232.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Tboil | 622.78 | K | Relay (1.0) Calculated Property |
| Tc | 932.30 | K | Relay (1.0) Calculated Property |
| Tfus | 404.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.61; 530.51] | J/mol×K | [728.76; 966.39] |
|
| Cp,gas | 469.61 | J/mol×K | 728.76 | Joback Calculated Property |
| Cp,gas | 482.13 | J/mol×K | 768.36 | Joback Calculated Property |
| Cp,gas | 493.62 | J/mol×K | 807.97 | Joback Calculated Property |
| Cp,gas | 504.15 | J/mol×K | 847.57 | Joback Calculated Property |
| Cp,gas | 513.77 | J/mol×K | 887.18 | Joback Calculated Property |
| Cp,gas | 522.54 | J/mol×K | 926.78 | Joback Calculated Property |
| Cp,gas | 530.51 | J/mol×K | 966.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzamide, N-(3-methylphenyl)-.
Sources
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