- InChI
- InChI=1S/C15H14ClNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
- InChI Key
- WNWRTBIACAYQKW-UHFFFAOYSA-N
- Formula
- C15H14ClNO
- SMILES
- OC(CCc1ccccc1)=Nc1cccc(Cl)c1
- Molecular Weight1
- 259.73
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7637 | Relay (1.0) Calculated Property | |
| ΔfG° | 185.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -32.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.561 | Crippen Calculated Property | |
| McVol | 198.480 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | [2280.00; 2280.00] |
|
|
| Inp | 2280.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Tboil | 633.42 | K | Relay (1.0) Calculated Property |
| Tc | 913.52 | K | Relay (1.0) Calculated Property |
| Tfus | 375.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-chlorophenyl)-3-phenyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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