- InChI
- InChI=1S/C12H19N/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7H,13H2,1-5H3
- InChI Key
- SJMVAOMOFSHXEH-UHFFFAOYSA-N
- Formula
- C12H19N
- SMILES
- Cc1cc(C)c(N)c(C(C)(C)C)c1
- Molecular Weight1
- 177.29
- CAS
- 35735-32-1
- 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 | 0.5189 | Relay (... Calculated Property | |
| ΔfG° | 202.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.59 | kJ/mol | Relay (... Calculated Property |
| IE | 7.43 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 3.183 | Crippen Calculated Property | |
| McVol | 166.160 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Tboil | 534.22 | K | Relay (... Calculated Property |
| Tc | 751.27 | K | Relay (... Calculated Property |
| Tfus | 291.08 | K | Relay (... Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.68; 498.46] | J/mol×K | [584.88; 809.73] | 
|
| Cp,gas | 413.68 | J/mol×K | 584.88 | Joback Calculated Property |
| Cp,gas | 430.20 | J/mol×K | 622.36 | Joback Calculated Property |
| Cp,gas | 445.70 | J/mol×K | 659.83 | Joback Calculated Property |
| Cp,gas | 460.22 | J/mol×K | 697.31 | Joback Calculated Property |
| Cp,gas | 473.82 | J/mol×K | 734.78 | Joback Calculated Property |
| Cp,gas | 486.55 | J/mol×K | 772.26 | Joback Calculated Property |
| Cp,gas | 498.46 | J/mol×K | 809.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 2,4-dimethyl-6-tert-butyl-.
Sources
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