- InChI
- InChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
- InChI Key
- HZEXEFBFZFWVOD-UHFFFAOYSA-N
- Formula
- C13H12ClNO
- SMILES
- CC(Cl)C(=O)Nc1cccc2ccccc12
- Molecular Weight1
- 233.69
- 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 | 0.5718 | Relay (1.0) Calculated Property | |
| ΔfG° | 214.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.406 | Crippen Calculated Property | |
| McVol | 174.600 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1968.00; 1968.00] |
|
|
| Inp | 1968.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | 615.54 | K | Relay (1.0) Calculated Property |
| Tc | 917.96 | K | Relay (1.0) Calculated Property |
| Tfus | 396.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.02; 498.11] | J/mol×K | [688.51; 928.04] |
|
| Cp,gas | 434.02 | J/mol×K | 688.51 | Joback Calculated Property |
| Cp,gas | 446.98 | J/mol×K | 728.43 | Joback Calculated Property |
| Cp,gas | 458.91 | J/mol×K | 768.35 | Joback Calculated Property |
| Cp,gas | 469.90 | J/mol×K | 808.28 | Joback Calculated Property |
| Cp,gas | 480.04 | J/mol×K | 848.20 | Joback Calculated Property |
| Cp,gas | 489.41 | J/mol×K | 888.12 | Joback Calculated Property |
| Cp,gas | 498.11 | J/mol×K | 928.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(1-naphthyl)-2-chloro-.
Sources
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