- InChI
- InChI=1S/C15H21ClFNO/c1-3-4-5-6-8-11(2)18-15(19)12-9-7-10-13(16)14(12)17/h7,9-11H,3-6,8H2,1-2H3,(H,18,19)
- InChI Key
- BBPNKNMZAYDYKS-UHFFFAOYSA-N
- Formula
- C15H21ClFNO
- SMILES
- CCCCCCC(C)NC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 285.79
- 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 | 0.7251 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.568 | Crippen Calculated Property | |
| McVol | 224.010 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | 2059.00 | NIST | |
| Tboil | 590.98 | K | Relay (1.0) Calculated Property |
| Tc | 826.82 | K | Relay (1.0) Calculated Property |
| Tfus | 330.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.41; 687.68] | J/mol×K | [719.54; 920.23] | 
|
| Cp,gas | 611.41 | J/mol×K | 719.54 | Joback Calculated Property |
| Cp,gas | 626.24 | J/mol×K | 752.99 | Joback Calculated Property |
| Cp,gas | 640.18 | J/mol×K | 786.44 | Joback Calculated Property |
| Cp,gas | 653.26 | J/mol×K | 819.89 | Joback Calculated Property |
| Cp,gas | 665.51 | J/mol×K | 853.33 | Joback Calculated Property |
| Cp,gas | 676.97 | J/mol×K | 886.78 | Joback Calculated Property |
| Cp,gas | 687.68 | J/mol×K | 920.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzamide, N-(2-octyl)-.
Sources
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