- InChI
- InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
- InChI Key
- WEMDUNBELVTSRP-UHFFFAOYSA-N
- Formula
- C9H12BrN
- SMILES
- CC(C)c1ccc(N)c(Br)c1
- Molecular Weight1
- 214.10
- CAS
- 51605-97-1
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4937 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.155 | Crippen Calculated Property | |
| McVol | 141.390 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Tboil | 539.79 | K | Relay (1.0) Calculated Property |
| Tc | 780.34 | K | Relay (1.0) Calculated Property |
| Tfus | 290.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.18; 372.36] | J/mol×K | [580.21; 821.77] | 
|
| Cp,gas | 308.18 | J/mol×K | 580.21 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 620.47 | Joback Calculated Property |
| Cp,gas | 332.71 | J/mol×K | 660.73 | Joback Calculated Property |
| Cp,gas | 343.73 | J/mol×K | 700.99 | Joback Calculated Property |
| Cp,gas | 353.98 | J/mol×K | 741.25 | Joback Calculated Property |
| Cp,gas | 363.51 | J/mol×K | 781.51 | Joback Calculated Property |
| Cp,gas | 372.36 | J/mol×K | 821.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4-isopropylaniline.
Sources
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