- InChI
- InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
- InChI Key
- ODFRAIZRJMUPCP-UHFFFAOYSA-N
- Formula
- C11H12ClNO2
- SMILES
- CC(=O)CC(=O)Nc1ccc(Cl)cc1C
- Molecular Weight1
- 225.67
- CAS
- 20139-55-3
- Other Names
-
- 4'-chloro-2'-methylacetoacetanilide
- 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 | 0.6244 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.566 | Crippen Calculated Property | |
| McVol | 167.450 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Tboil | 583.52 | K | Relay (1.0) Calculated Property |
| Tc | 841.57 | K | Relay (1.0) Calculated Property |
| Tfus | 387.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.69; 468.40] | J/mol×K | [683.06; 906.69] | 
|
| Cp,gas | 409.69 | J/mol×K | 683.06 | Joback Calculated Property |
| Cp,gas | 421.42 | J/mol×K | 720.33 | Joback Calculated Property |
| Cp,gas | 432.33 | J/mol×K | 757.60 | Joback Calculated Property |
| Cp,gas | 442.45 | J/mol×K | 794.88 | Joback Calculated Property |
| Cp,gas | 451.81 | J/mol×K | 832.15 | Joback Calculated Property |
| Cp,gas | 460.45 | J/mol×K | 869.42 | Joback Calculated Property |
| Cp,gas | 468.40 | J/mol×K | 906.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Toluidide, 4'-chloro-o-acetoaceto-.
Sources
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