- InChI
- InChI=1S/C12H16ClNO/c1-9(15)14(12(2,3)4)11-7-5-6-10(13)8-11/h5-8H,1-4H3
- InChI Key
- AIXVBEWBQIYLGN-UHFFFAOYSA-N
- Formula
- C12H16ClNO
- SMILES
- CC(=O)N(c1cccc(Cl)c1)C(C)(C)C
- 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).
- 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 | 0.5144 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.491 | Crippen Calculated Property | |
| McVol | 179.970 | ml/mol | McGowan Calculated Property |
| Pc | 2472.73 | kPa | Joback Calculated Property |
| Tboil | 557.02 | K | Relay (1.0) Calculated Property |
| Tc | 781.19 | K | Relay (1.0) Calculated Property |
| Tfus | 315.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.642 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.15; 513.72] | J/mol×K | [606.13; 828.96] | 
|
| Cp,gas | 436.15 | J/mol×K | 606.13 | Joback Calculated Property |
| Cp,gas | 451.68 | J/mol×K | 643.27 | Joback Calculated Property |
| Cp,gas | 466.07 | J/mol×K | 680.41 | Joback Calculated Property |
| Cp,gas | 479.40 | J/mol×K | 717.55 | Joback Calculated Property |
| Cp,gas | 491.73 | J/mol×K | 754.68 | Joback Calculated Property |
| Cp,gas | 503.15 | J/mol×K | 791.82 | Joback Calculated Property |
| Cp,gas | 513.72 | J/mol×K | 828.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, n-tert-butyl-3-chloro-.
Sources
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