- InChI
- InChI=1S/C9H9ClN2O2/c10-5-8(13)12-7-4-2-1-3-6(7)9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
- InChI Key
- LCDQTZCLXUMOGO-UHFFFAOYSA-N
- Formula
- C9H9ClN2O2
- SMILES
- NC(=O)c1ccccc1NC(=O)CCl
- Molecular Weight1
- 212.63
- CAS
- 21721-78-8
- 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 | 0.7190 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.963 | Crippen Calculated Property | |
| McVol | 149.250 | ml/mol | McGowan Calculated Property |
| Pc | 3872.29 | kPa | Joback Calculated Property |
| Tboil | 595.44 | K | Relay (1.0) Calculated Property |
| Tc | 904.27 | K | Relay (1.0) Calculated Property |
| Tfus | 403.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.70; 413.32] | J/mol×K | [704.85; 942.04] | 
|
| Cp,gas | 365.70 | J/mol×K | 704.85 | Joback Calculated Property |
| Cp,gas | 375.54 | J/mol×K | 744.38 | Joback Calculated Property |
| Cp,gas | 384.57 | J/mol×K | 783.91 | Joback Calculated Property |
| Cp,gas | 392.83 | J/mol×K | 823.45 | Joback Calculated Property |
| Cp,gas | 400.34 | J/mol×K | 862.98 | Joback Calculated Property |
| Cp,gas | 407.16 | J/mol×K | 902.51 | Joback Calculated Property |
| Cp,gas | 413.32 | J/mol×K | 942.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, 2'-carbamoyl-2-chloro-.
Sources
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