- InChI
- InChI=1S/C21H21Cl2F2NO2/c1-2-3-4-5-6-13-26(20(27)14-9-7-11-16(22)18(14)24)21(28)15-10-8-12-17(23)19(15)25/h7-12H,2-6,13H2,1H3
- InChI Key
- JLPHIFBTHJNEQZ-UHFFFAOYSA-N
- Formula
- C21H21Cl2F2NO2
- SMILES
-
CCCCCCCN(C(=O)c1cccc(Cl)c1F)C(
=O)c1cccc(Cl)c1F - Molecular Weight1
- 428.30
- 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 | 0.9456 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.525 | Crippen Calculated Property | |
| McVol | 300.370 | ml/mol | McGowan Calculated Property |
| Pc | 1400.64 | kPa | Joback Calculated Property |
| Inp | 2754.00 | NIST | |
| Tboil | 678.82 | K | Relay (1.0) Calculated Property |
| Tc | 956.80 | K | Relay (1.0) Calculated Property |
| Tfus | 347.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.085 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.24; 942.40] | J/mol×K | [946.74; 1169.15] | 
|
| Cp,gas | 883.24 | J/mol×K | 946.74 | Joback Calculated Property |
| Cp,gas | 895.32 | J/mol×K | 983.81 | Joback Calculated Property |
| Cp,gas | 906.41 | J/mol×K | 1020.88 | Joback Calculated Property |
| Cp,gas | 916.59 | J/mol×K | 1057.95 | Joback Calculated Property |
| Cp,gas | 925.93 | J/mol×K | 1095.01 | Joback Calculated Property |
| Cp,gas | 934.51 | J/mol×K | 1132.08 | Joback Calculated Property |
| Cp,gas | 942.40 | J/mol×K | 1169.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-(3-chloro-2-fluorobenzoyl)-N-heptyl-.
Sources
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