- InChI
- InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3
- InChI Key
- XXVROGAVTTXONC-UHFFFAOYSA-N
- Formula
- C12H18ClN
- SMILES
- CC(Cc1ccccc1)NCCCCl
- Molecular Weight1
- 211.73
- CAS
- 17243-57-1
- Other Names
-
- Phenethylamine, N-(3-chloropropyl)-«alpha»-methyl-
- Mefenorex
- N-(3-Chloropropyl)-«alpha»-methylphenethylamine
- 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).
- 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° | 237.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 178.400 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Tboil | 587.80 | K | Joback Calculated Property |
| Tc | 796.70 | K | Joback Calculated Property |
| Tfus | 319.00 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.00; 511.50] | J/mol×K | [587.80; 796.70] | 
|
| Cp,gas | 429.00 | J/mol×K | 587.80 | Joback Calculated Property |
| Cp,gas | 445.05 | J/mol×K | 622.62 | Joback Calculated Property |
| Cp,gas | 460.12 | J/mol×K | 657.43 | Joback Calculated Property |
| Cp,gas | 474.25 | J/mol×K | 692.25 | Joback Calculated Property |
| Cp,gas | 487.50 | J/mol×K | 727.07 | Joback Calculated Property |
| Cp,gas | 499.90 | J/mol×K | 761.89 | Joback Calculated Property |
| Cp,gas | 511.50 | J/mol×K | 796.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanamine, N-(3-chloropropyl)-«alpha»-methyl-.
Sources
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