- InChI
- InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3
- InChI Key
- LRXXRIXDSAEIOR-UHFFFAOYSA-N
- Formula
- C16H18ClN
- SMILES
- CC(Cc1ccccc1)NCc1ccccc1Cl
- Molecular Weight1
- 259.77
- CAS
- 13364-32-4
- Other Names
-
- Asenlix
- Finedal
- Benzeneethanamine, N-[(2-chlorophenyl)methyl]-«alpha»-methyl-, (+)-
- Dinintel
- (+)-N-(o-Chlorobenzyl)-«alpha»-methylphenethylamine
- SD 271-12
- N-(2-Chlorobenzyl)-1-phenyl-2-propanamine-, (+)-
- Benzenemethanamine, 2'-chloro, N-(1-methyl-2-phenylethyl), (+)-
- 5843-53-8 (hydrochloride)
- Benzenemethanamine, 2'-chloro, N-(1-methyl-2-phenylethyl)
- 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° | 374.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 120.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.061 | Crippen Calculated Property | |
| McVol | 211.000 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| Tboil | 710.98 | K | Joback Calculated Property |
| Tc | 947.34 | K | Joback Calculated Property |
| Tfus | 403.02 | K | Joback Calculated Property |
| Vc | 0.793 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.46; 637.05] | J/mol×K | [710.98; 947.34] | 
|
| Cp,gas | 555.46 | J/mol×K | 710.98 | Joback Calculated Property |
| Cp,gas | 571.96 | J/mol×K | 750.37 | Joback Calculated Property |
| Cp,gas | 587.19 | J/mol×K | 789.77 | Joback Calculated Property |
| Cp,gas | 601.23 | J/mol×K | 829.16 | Joback Calculated Property |
| Cp,gas | 614.17 | J/mol×K | 868.55 | Joback Calculated Property |
| Cp,gas | 626.08 | J/mol×K | 907.95 | Joback Calculated Property |
| Cp,gas | 637.05 | J/mol×K | 947.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clobenzorex.
Sources
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