- InChI
- InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
- InChI Key
- YMVFJGSXZNNUDW-UHFFFAOYSA-N
- Formula
- C7H8ClN
- SMILES
- NCc1ccc(Cl)cc1
- Molecular Weight1
- 141.60
- CAS
- 104-86-9
- Other Names
-
- Benzylamine, p-chloro-
- p-Chlorobenzylamine
- 4-Chlorobenzylamine
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 165.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 55.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.47 | Crippen Calculated Property | |
| logPoct/wat | 1.799 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Inp | 1400.00 | NIST | |
| Tboil | 488.20 | K | NIST |
| Tc | 735.06 | K | Joback Calculated Property |
| Tfus | 320.77 | K | Joback Calculated Property |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.53; 265.49] | J/mol×K | [501.18; 735.06] | 
|
| Cp,gas | 211.53 | J/mol×K | 501.18 | Joback Calculated Property |
| Cp,gas | 222.20 | J/mol×K | 540.16 | Joback Calculated Property |
| Cp,gas | 232.15 | J/mol×K | 579.14 | Joback Calculated Property |
| Cp,gas | 241.43 | J/mol×K | 618.12 | Joback Calculated Property |
| Cp,gas | 250.05 | J/mol×K | 657.10 | Joback Calculated Property |
| Cp,gas | 258.06 | J/mol×K | 696.08 | Joback Calculated Property |
| Cp,gas | 265.49 | J/mol×K | 735.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanamine, 4-chloro-.
Sources
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