- InChI
- InChI=1S/C10H14BrN/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,12H,1-3H3
- InChI Key
- XJQHZOAOQPUDOL-UHFFFAOYSA-N
- Formula
- C10H14BrN
- SMILES
- CC(C)(C)Nc1ccc(Br)cc1
- Molecular Weight1
- 228.13
- CAS
- 36171-07-0
- 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 | 0.4709 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.660 | Crippen Calculated Property | |
| McVol | 155.480 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 544.17 | K | Relay (1.0) Calculated Property |
| Tc | 766.99 | K | Relay (1.0) Calculated Property |
| Tfus | 364.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.05; 421.79] | J/mol×K | [572.96; 808.85] | 
|
| Cp,gas | 349.05 | J/mol×K | 572.96 | Joback Calculated Property |
| Cp,gas | 363.71 | J/mol×K | 612.27 | Joback Calculated Property |
| Cp,gas | 377.24 | J/mol×K | 651.59 | Joback Calculated Property |
| Cp,gas | 389.73 | J/mol×K | 690.90 | Joback Calculated Property |
| Cp,gas | 401.27 | J/mol×K | 730.22 | Joback Calculated Property |
| Cp,gas | 411.93 | J/mol×K | 769.53 | Joback Calculated Property |
| Cp,gas | 421.79 | J/mol×K | 808.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-bromo-n-tert-butyl-.
Sources
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