- InChI
- InChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
- InChI Key
- PXBPMCNEAZKAKS-UHFFFAOYSA-N
- Formula
- C14H12ClNO
- SMILES
- Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1
- Molecular Weight1
- 245.70
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 221.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 184.390 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Inp | [2260.00; 2260.00] |
|
|
| Inp | 2260.00 | NIST | |
| Inp | 2260.00 | NIST | |
| Tboil | 724.51 | K | Joback Calculated Property |
| Tc | 972.24 | K | Joback Calculated Property |
| Tfus | 457.93 | K | Joback Calculated Property |
| Vc | 0.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.13; 527.47] | J/mol×K | [724.51; 972.24] |
|
| Cp,gas | 463.13 | J/mol×K | 724.51 | Joback Calculated Property |
| Cp,gas | 476.46 | J/mol×K | 765.80 | Joback Calculated Property |
| Cp,gas | 488.65 | J/mol×K | 807.09 | Joback Calculated Property |
| Cp,gas | 499.77 | J/mol×K | 848.38 | Joback Calculated Property |
| Cp,gas | 509.90 | J/mol×K | 889.66 | Joback Calculated Property |
| Cp,gas | 519.12 | J/mol×K | 930.95 | Joback Calculated Property |
| Cp,gas | 527.47 | J/mol×K | 972.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-3-methyl-.
Sources
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