- InChI
- InChI=1S/C11H14ClNO/c1-3-4-11(14)13-9-6-5-8(2)10(12)7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
- InChI Key
- CMVIYVQUKDZLRB-UHFFFAOYSA-N
- Formula
- C11H14ClNO
- SMILES
- CCCC(=O)Nc1ccc(C)c(Cl)c1
- Molecular Weight1
- 211.69
- 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 | 0.6108 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.387 | Crippen Calculated Property | |
| McVol | 165.880 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [1835.00; 1835.00] |
|
|
| Inp | 1835.00 | NIST | |
| Inp | 1835.00 | NIST | |
| Tboil | 569.81 | K | Relay (1.0) Calculated Property |
| Tc | 814.66 | K | Relay (1.0) Calculated Property |
| Tfus | 367.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.34; 463.63] | J/mol×K | [629.19; 846.41] |
|
| Cp,gas | 396.34 | J/mol×K | 629.19 | Joback Calculated Property |
| Cp,gas | 409.49 | J/mol×K | 665.39 | Joback Calculated Property |
| Cp,gas | 421.83 | J/mol×K | 701.60 | Joback Calculated Property |
| Cp,gas | 433.38 | J/mol×K | 737.80 | Joback Calculated Property |
| Cp,gas | 444.18 | J/mol×K | 774.00 | Joback Calculated Property |
| Cp,gas | 454.25 | J/mol×K | 810.20 | Joback Calculated Property |
| Cp,gas | 463.63 | J/mol×K | 846.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3'-chloro,4'-methylbutyroanilide.
Sources
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