- InChI
- InChI=1S/C13H12ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)
- InChI Key
- ISEAPHXDUWABSS-UHFFFAOYSA-N
- Formula
- C13H12ClNO
- SMILES
- O=C(CCCl)Nc1cccc2ccccc12
- Molecular Weight1
- 233.69
- 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° | 216.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.407 | Crippen Calculated Property | |
| McVol | 174.600 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [2158.00; 2158.00] |
|
|
| Inp | 2158.00 | NIST | |
| Inp | 2158.00 | NIST | |
| Tboil | 688.95 | K | Joback Calculated Property |
| Tc | 923.73 | K | Joback Calculated Property |
| Tfus | 440.42 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.45; 496.54] | J/mol×K | [688.95; 923.73] |
|
| Cp,gas | 433.45 | J/mol×K | 688.95 | Joback Calculated Property |
| Cp,gas | 446.13 | J/mol×K | 728.08 | Joback Calculated Property |
| Cp,gas | 457.84 | J/mol×K | 767.21 | Joback Calculated Property |
| Cp,gas | 468.64 | J/mol×K | 806.34 | Joback Calculated Property |
| Cp,gas | 478.64 | J/mol×K | 845.47 | Joback Calculated Property |
| Cp,gas | 487.91 | J/mol×K | 884.60 | Joback Calculated Property |
| Cp,gas | 496.54 | J/mol×K | 923.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(1-naphthyl)-3-chloro-.
Sources
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