- InChI
- InChI=1S/C16H24ClNO/c1-4-6-7-8-13(3)18(5-2)16(19)14-9-11-15(17)12-10-14/h9-13H,4-8H2,1-3H3
- InChI Key
- LWHHQIZZEOLVHI-UHFFFAOYSA-N
- Formula
- C16H24ClNO
- SMILES
-
CCCCCC(C)N(CC)C(=O)c1ccc(Cl)cc
1 - Molecular Weight1
- 281.82
- 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 | 0.6801 | Relay (1.0) Calculated Property | |
| ΔfG° | 154.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.771 | Crippen Calculated Property | |
| McVol | 236.330 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Inp | [2138.00; 2138.00] |
|
|
| Inp | 2138.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Tboil | 610.49 | K | Relay (1.0) Calculated Property |
| Tc | 811.05 | K | Relay (1.0) Calculated Property |
| Tfus | 291.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [642.15; 728.32] | J/mol×K | [700.44; 902.86] |
|
| Cp,gas | 642.15 | J/mol×K | 700.44 | Joback Calculated Property |
| Cp,gas | 658.91 | J/mol×K | 734.18 | Joback Calculated Property |
| Cp,gas | 674.65 | J/mol×K | 767.91 | Joback Calculated Property |
| Cp,gas | 689.41 | J/mol×K | 801.65 | Joback Calculated Property |
| Cp,gas | 703.24 | J/mol×K | 835.39 | Joback Calculated Property |
| Cp,gas | 716.19 | J/mol×K | 869.12 | Joback Calculated Property |
| Cp,gas | 728.32 | J/mol×K | 902.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-chloro-N-ethyl-N-hept-2-yl-.
Sources
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