- InChI
- InChI=1S/C12H16ClNO/c1-3-4-5-12(15)14-10-7-6-9(2)11(13)8-10/h6-8H,3-5H2,1-2H3,(H,14,15)
- InChI Key
- MUDBOJKTKQUTFU-UHFFFAOYSA-N
- Formula
- C12H16ClNO
- SMILES
- CCCCC(=O)Nc1ccc(C)c(Cl)c1
- Molecular Weight1
- 225.72
- 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 | 0.6485 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.777 | Crippen Calculated Property | |
| McVol | 179.970 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | 1932.00 | NIST | |
| Tboil | 580.88 | K | Relay (1.0) Calculated Property |
| Tc | 824.21 | K | Relay (1.0) Calculated Property |
| Tfus | 357.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.95; 516.63] | J/mol×K | [652.07; 865.67] | 
|
| Cp,gas | 445.95 | J/mol×K | 652.07 | Joback Calculated Property |
| Cp,gas | 459.74 | J/mol×K | 687.67 | Joback Calculated Property |
| Cp,gas | 472.68 | J/mol×K | 723.27 | Joback Calculated Property |
| Cp,gas | 484.81 | J/mol×K | 758.87 | Joback Calculated Property |
| Cp,gas | 496.16 | J/mol×K | 794.47 | Joback Calculated Property |
| Cp,gas | 506.75 | J/mol×K | 830.07 | Joback Calculated Property |
| Cp,gas | 516.63 | J/mol×K | 865.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3'-chloro,4'-methylvaleroanilide.
Sources
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