- InChI
- InChI=1S/C22H25Cl2NO2/c1-3-5-10-16(4-2)15-25(21(26)17-11-6-8-13-19(17)23)22(27)18-12-7-9-14-20(18)24/h6-9,11-14,16H,3-5,10,15H2,1-2H3
- InChI Key
- IRGIEZZJKIVIQD-UHFFFAOYSA-N
- Formula
- C22H25Cl2NO2
- SMILES
-
CCCCC(CC)CN(C(=O)c1ccccc1Cl)C(
=O)c1ccccc1Cl - Molecular Weight1
- 406.35
- 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 | 0.8783 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.492 | Crippen Calculated Property | |
| McVol | 310.920 | ml/mol | McGowan Calculated Property |
| Pc | 1434.80 | kPa | Joback Calculated Property |
| Inp | [2811.00; 2811.00] |
|
|
| Inp | 2811.00 | NIST | |
| Inp | 2811.00 | NIST | |
| Tboil | 685.61 | K | Relay (1.0) Calculated Property |
| Tc | 969.45 | K | Relay (1.0) Calculated Property |
| Tfus | 317.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.092 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.83; 996.70] | J/mol×K | [960.68; 1192.77] |
|
| Cp,gas | 930.83 | J/mol×K | 960.68 | Joback Calculated Property |
| Cp,gas | 944.13 | J/mol×K | 999.36 | Joback Calculated Property |
| Cp,gas | 956.37 | J/mol×K | 1038.04 | Joback Calculated Property |
| Cp,gas | 967.65 | J/mol×K | 1076.72 | Joback Calculated Property |
| Cp,gas | 978.06 | J/mol×K | 1115.40 | Joback Calculated Property |
| Cp,gas | 987.71 | J/mol×K | 1154.09 | Joback Calculated Property |
| Cp,gas | 996.70 | J/mol×K | 1192.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-chloro-N-(2-chlorobenzoyl)-N-hexyl-.
Sources
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