- InChI
- InChI=1S/C8H10BrN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
- InChI Key
- TUADRPBKJHMHDH-UHFFFAOYSA-N
- Formula
- C8H10BrN
- SMILES
- CNCc1ccccc1Br
- Molecular Weight1
- 200.08
- CAS
- 698-19-1
- 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° | 222.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 96.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.168 | Crippen Calculated Property | |
| McVol | 127.300 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 530.43 | K | Joback Calculated Property |
| Tc | 760.39 | K | Joback Calculated Property |
| Tfus | 331.32 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.27; 315.82] | J/mol×K | [530.43; 760.39] | 
|
| Cp,gas | 255.27 | J/mol×K | 530.43 | Joback Calculated Property |
| Cp,gas | 267.23 | J/mol×K | 568.76 | Joback Calculated Property |
| Cp,gas | 278.39 | J/mol×K | 607.08 | Joback Calculated Property |
| Cp,gas | 288.79 | J/mol×K | 645.41 | Joback Calculated Property |
| Cp,gas | 298.46 | J/mol×K | 683.74 | Joback Calculated Property |
| Cp,gas | 307.45 | J/mol×K | 722.07 | Joback Calculated Property |
| Cp,gas | 315.82 | J/mol×K | 760.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-methyl-o-bromobenzylamine.
Sources
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