- InChI
- InChI=1S/C15H14ClNO/c1-2-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(16)10-14/h3-10H,2H2,1H3,(H,17,18)
- InChI Key
- QUCAEGXNFCWNHP-UHFFFAOYSA-N
- Formula
- C15H14ClNO
- SMILES
- CCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
- Molecular Weight1
- 259.73
- 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 | 0.6590 | Relay (1.0) Calculated Property | |
| ΔfG° | 229.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.155 | Crippen Calculated Property | |
| McVol | 198.480 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | [2384.00; 2384.00] |
|
|
| Inp | 2384.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Tboil | 633.46 | K | Relay (1.0) Calculated Property |
| Tc | 929.47 | K | Relay (1.0) Calculated Property |
| Tfus | 374.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.34; 582.19] | J/mol×K | [747.39; 989.98] |
|
| Cp,gas | 515.34 | J/mol×K | 747.39 | Joback Calculated Property |
| Cp,gas | 529.08 | J/mol×K | 787.82 | Joback Calculated Property |
| Cp,gas | 541.70 | J/mol×K | 828.25 | Joback Calculated Property |
| Cp,gas | 553.24 | J/mol×K | 868.69 | Joback Calculated Property |
| Cp,gas | 563.79 | J/mol×K | 909.12 | Joback Calculated Property |
| Cp,gas | 573.42 | J/mol×K | 949.55 | Joback Calculated Property |
| Cp,gas | 582.19 | J/mol×K | 989.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-4-ethyl-.
Sources
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