- InChI
- InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
- InChI Key
- XRNVSPDQTPVECU-UHFFFAOYSA-N
- Formula
- C7H8BrN
- SMILES
- NCc1ccc(Br)cc1
- Molecular Weight1
- 186.05
- CAS
- 3959-07-7
- Other Names
-
- Benzenemethanamine, 4-bromo-
- 4-Bromobenzylamine
- 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° | 191.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 1.908 | Crippen Calculated Property | |
| McVol | 113.210 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 523.00 | K | NIST |
| Tc | 774.87 | K | Joback Calculated Property |
| Tfus | 293.00 | K | NIST |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.82; 273.20] | J/mol×K | [529.91; 774.87] | 
|
| Cp,gas | 220.82 | J/mol×K | 529.91 | Joback Calculated Property |
| Cp,gas | 231.34 | J/mol×K | 570.74 | Joback Calculated Property |
| Cp,gas | 241.08 | J/mol×K | 611.56 | Joback Calculated Property |
| Cp,gas | 250.09 | J/mol×K | 652.39 | Joback Calculated Property |
| Cp,gas | 258.42 | J/mol×K | 693.21 | Joback Calculated Property |
| Cp,gas | 266.10 | J/mol×K | 734.04 | Joback Calculated Property |
| Cp,gas | 273.20 | J/mol×K | 774.87 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.50 ± 0.50 | K | 2.00 | NIST |
Similar Compounds
![[4-(Acetaminomethyl)phenyl]methanamine.](data:image/png;base64,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)
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