- InChI
- InChI=1S/C13H18ClNO/c1-4-15(9-10(2)3)13(16)11-5-7-12(14)8-6-11/h5-8,10H,4,9H2,1-3H3
- InChI Key
- JXLCZJMOWDMOSZ-UHFFFAOYSA-N
- Formula
- C13H18ClNO
- SMILES
- CCN(CC(C)C)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 | 0.5799 | Relay (1.0) Calculated Property | |
| ΔfG° | 128.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.458 | Crippen Calculated Property | |
| McVol | 194.060 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | [1989.00; 1989.00] |
|
|
| Inp | 1989.00 | NIST | |
| Inp | 1989.00 | NIST | |
| Tboil | 587.09 | K | Relay (1.0) Calculated Property |
| Tc | 773.72 | K | Relay (1.0) Calculated Property |
| Tfus | 304.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.47; 563.25] | J/mol×K | [631.80; 842.83] |
|
| Cp,gas | 483.47 | J/mol×K | 631.80 | Joback Calculated Property |
| Cp,gas | 499.10 | J/mol×K | 666.97 | Joback Calculated Property |
| Cp,gas | 513.74 | J/mol×K | 702.14 | Joback Calculated Property |
| Cp,gas | 527.42 | J/mol×K | 737.31 | Joback Calculated Property |
| Cp,gas | 540.20 | J/mol×K | 772.48 | Joback Calculated Property |
| Cp,gas | 552.13 | J/mol×K | 807.65 | Joback Calculated Property |
| Cp,gas | 563.25 | J/mol×K | 842.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-chloro-N-ethyl-N-isobutyl-.
Sources
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