- InChI
- InChI=1S/C13H18ClNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
- InChI Key
- CKVXMCCRBQYGDV-UHFFFAOYSA-N
- Formula
- C13H18ClNO
- SMILES
- CCCCN(CC)C(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 239.74
- 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 | 0.6223 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.602 | Crippen Calculated Property | |
| McVol | 194.060 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [2020.00; 2020.00] |
|
|
| Inp | 2020.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Tboil | 594.02 | K | Relay (1.0) Calculated Property |
| Tc | 783.27 | K | Relay (1.0) Calculated Property |
| Tfus | 289.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.02; 561.41] | J/mol×K | [632.24; 839.24] |
|
| Cp,gas | 483.02 | J/mol×K | 632.24 | Joback Calculated Property |
| Cp,gas | 498.31 | J/mol×K | 666.74 | Joback Calculated Property |
| Cp,gas | 512.65 | J/mol×K | 701.24 | Joback Calculated Property |
| Cp,gas | 526.09 | J/mol×K | 735.74 | Joback Calculated Property |
| Cp,gas | 538.66 | J/mol×K | 770.24 | Joback Calculated Property |
| Cp,gas | 550.42 | J/mol×K | 804.74 | Joback Calculated Property |
| Cp,gas | 561.41 | J/mol×K | 839.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-chloro-N-ethyl-N-butyl-.
Sources
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