- InChI
- InChI=1S/C21H34ClNO/c1-3-5-6-7-8-9-10-11-12-13-18-23(4-2)21(24)19-14-16-20(22)17-15-19/h14-17H,3-13,18H2,1-2H3
- InChI Key
- CNCFRXSHGVCPCY-UHFFFAOYSA-N
- Formula
- C21H34ClNO
- SMILES
-
CCCCCCCCCCCCN(CC)C(=O)c1ccc(Cl
)cc1 - Molecular Weight1
- 351.95
- 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° | 198.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.32 | Crippen Calculated Property | |
| logPoct/wat | 6.723 | Crippen Calculated Property | |
| McVol | 306.780 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Tboil | 815.28 | K | Joback Calculated Property |
| Tc | 1010.68 | K | Joback Calculated Property |
| Tfus | 477.69 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [928.52; 1020.71] | J/mol×K | [815.28; 1010.68] |
|
| Cp,gas | 928.52 | J/mol×K | 815.28 | Joback Calculated Property |
| Cp,gas | 946.31 | J/mol×K | 847.85 | Joback Calculated Property |
| Cp,gas | 963.05 | J/mol×K | 880.41 | Joback Calculated Property |
| Cp,gas | 978.81 | J/mol×K | 912.98 | Joback Calculated Property |
| Cp,gas | 993.63 | J/mol×K | 945.55 | Joback Calculated Property |
| Cp,gas | 1007.58 | J/mol×K | 978.11 | Joback Calculated Property |
| Cp,gas | 1020.71 | J/mol×K | 1010.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-chloro-N-ethyl-N-dodecyl-.
Sources
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