- InChI
- InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
- InChI Key
- KDDNKZCVYQDGKE-UHFFFAOYSA-N
- Formula
- C7H8ClN
- SMILES
- NCc1ccccc1Cl
- Molecular Weight1
- 141.60
- Other Names
-
- Benzylamine, o-chloro-
- o-Chlorobenzylamine
- 2-Chlorobenzylamine
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4062 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.799 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Tboil | 497.38 | K | Relay (1.0) Calculated Property |
| Tc | 724.46 | K | Relay (1.0) Calculated Property |
| Tfus | 295.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.70 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.05; 303.14] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.69900e+00 | |||
| Coefficient B | 5.99100e-01 | |||
| Coefficient C | -3.84960e-04 | |||
| Coefficient D | 9.27000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 254.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 269.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 282.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 293.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 303.14 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanamine, 2-chloro-.
Sources
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