- InChI
- InChI=1S/C10H14BrN/c1-7-5-9(11)6-8(2)10(7)12(3)4/h5-6H,1-4H3
- InChI Key
- NDDKEDQKCHIHMI-UHFFFAOYSA-N
- Formula
- C10H14BrN
- SMILES
- Cc1cc(Br)cc(C)c1N(C)C
- Molecular Weight1
- 228.13
- CAS
- 50638-54-5
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 935.40 | kJ/mol | NIST |
| BasG | 902.90 | kJ/mol | NIST |
| ΔfG° | 241.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.132 | Crippen Calculated Property | |
| McVol | 155.480 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Tboil | 548.42 | K | Joback Calculated Property |
| Tc | 769.25 | K | Joback Calculated Property |
| Tfus | 358.71 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.92; 403.82] | J/mol×K | [548.42; 769.25] | 
|
| Cp,gas | 331.92 | J/mol×K | 548.42 | Joback Calculated Property |
| Cp,gas | 345.84 | J/mol×K | 585.22 | Joback Calculated Property |
| Cp,gas | 358.94 | J/mol×K | 622.03 | Joback Calculated Property |
| Cp,gas | 371.25 | J/mol×K | 658.83 | Joback Calculated Property |
| Cp,gas | 382.80 | J/mol×K | 695.64 | Joback Calculated Property |
| Cp,gas | 393.65 | J/mol×K | 732.44 | Joback Calculated Property |
| Cp,gas | 403.82 | J/mol×K | 769.25 | Joback Calculated Property |
Similar Compounds
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Sources
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