- InChI
- InChI=1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
- InChI Key
- RZBOMSOHMOVUES-UHFFFAOYSA-N
- Formula
- C8H10ClN
- SMILES
- NCCc1ccccc1Cl
- Molecular Weight1
- 155.62
- CAS
- 13078-80-3
- Other Names
-
- o-Chlorophenethylamine
- 2-(O-Chlorophenyl)ethylamine
- 2-(2-Chlorophenyl)ethylamine
- 2-Chlorophenethylamine
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 173.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 1.841 | Crippen Calculated Property | |
| McVol | 122.040 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Tboil | 524.06 | K | Joback Calculated Property |
| Tc | 753.66 | K | Joback Calculated Property |
| Tfus | 332.04 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.53; 313.73] | J/mol×K | [524.06; 753.66] | 
|
| Cp,gas | 253.53 | J/mol×K | 524.06 | Joback Calculated Property |
| Cp,gas | 265.37 | J/mol×K | 562.33 | Joback Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 600.59 | Joback Calculated Property |
| Cp,gas | 286.78 | J/mol×K | 638.86 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 677.13 | Joback Calculated Property |
| Cp,gas | 305.38 | J/mol×K | 715.39 | Joback Calculated Property |
| Cp,gas | 313.73 | J/mol×K | 753.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Benzeneethanamine, 2-chloro-.
Sources
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