- InChI
- InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
- InChI Key
- SOZMSEPDYJGBEK-UHFFFAOYSA-N
- Formula
- C8H10BrN
- SMILES
- CC(N)c1ccc(Br)cc1
- Molecular Weight1
- 200.08
- CAS
- 27298-97-1
- Other Names
-
- Benzenemethanamine, 4-bromo-«alpha»-methyl-, («alpha»S)-
- (S)-(-)-1-(4-BROMOPHENYL)ETHYLAMINE
- 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° | 197.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.469 | Crippen Calculated Property | |
| McVol | 127.300 | ml/mol | McGowan Calculated Property |
| Pc | 4238.55 | kPa | Joback Calculated Property |
| Tboil | 552.35 | K | Joback Calculated Property |
| Tc | 797.97 | K | Joback Calculated Property |
| Tfus | 346.92 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.20; 324.03] | J/mol×K | [552.35; 797.97] | 
|
| Cp,gas | 264.20 | J/mol×K | 552.35 | Joback Calculated Property |
| Cp,gas | 276.20 | J/mol×K | 593.29 | Joback Calculated Property |
| Cp,gas | 287.32 | J/mol×K | 634.22 | Joback Calculated Property |
| Cp,gas | 297.61 | J/mol×K | 675.16 | Joback Calculated Property |
| Cp,gas | 307.13 | J/mol×K | 716.09 | Joback Calculated Property |
| Cp,gas | 315.91 | J/mol×K | 757.03 | Joback Calculated Property |
| Cp,gas | 324.03 | J/mol×K | 797.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-1-(4-Bromophenyl)ethylamine.
Sources
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