- InChI
- InChI=1S/C14H12ClNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)
- InChI Key
- GAWITMMQHFGOMV-UHFFFAOYSA-N
- Formula
- C14H12ClNO
- SMILES
- O=C(Cc1ccccc1)Nc1cccc(Cl)c1
- Molecular Weight1
- 245.70
- 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 | 0.5924 | Relay (1.0) Calculated Property | |
| ΔfG° | 230.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.521 | Crippen Calculated Property | |
| McVol | 184.390 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Inp | [2147.00; 2147.00] |
|
|
| Inp | 2147.00 | NIST | |
| Inp | 2147.00 | NIST | |
| Tboil | 621.14 | K | Relay (1.0) Calculated Property |
| Tc | 925.17 | K | Relay (1.0) Calculated Property |
| Tfus | 369.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.51; 529.40] | J/mol×K | [719.53; 966.46] |
|
| Cp,gas | 464.51 | J/mol×K | 719.53 | Joback Calculated Property |
| Cp,gas | 477.98 | J/mol×K | 760.69 | Joback Calculated Property |
| Cp,gas | 490.29 | J/mol×K | 801.84 | Joback Calculated Property |
| Cp,gas | 501.50 | J/mol×K | 843.00 | Joback Calculated Property |
| Cp,gas | 511.70 | J/mol×K | 884.15 | Joback Calculated Property |
| Cp,gas | 520.97 | J/mol×K | 925.31 | Joback Calculated Property |
| Cp,gas | 529.40 | J/mol×K | 966.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-chlorophenyl)-2-phenyl-.
Sources
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