- InChI
- InChI=1S/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3
- InChI Key
- GWIUAENVORNODL-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- Cc1cccc(C(C)(C)C)c1N
- Molecular Weight1
- 163.26
- CAS
- 13117-94-7
- Other Names
-
- 2-Methyl-6-t-butylaniline
- 6-tert-Butyl-o-toluidine
- Benzenamine, 2-(1,1-dimethylethyl)-6-methyl-
- Aniline, 2-tert-butyl-6-methyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -6649.60 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 204.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.80 ± 3.50 | kJ/mol | NIST |
| ΔfH°liquid | -108.60 ± 2.50 | kJ/mol | NIST |
| ΔfusH° | 15.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.80 ± 2.50 | kJ/mol | NIST |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 2.875 | Crippen Calculated Property | |
| McVol | 152.070 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Tboil | 557.02 | K | Joback Calculated Property |
| Tc | 785.11 | K | Joback Calculated Property |
| Tfus | 350.87 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.85; 447.95] | J/mol×K | [557.02; 785.11] | 
|
| Cp,gas | 365.85 | J/mol×K | 557.02 | Joback Calculated Property |
| Cp,gas | 382.00 | J/mol×K | 595.03 | Joback Calculated Property |
| Cp,gas | 397.09 | J/mol×K | 633.05 | Joback Calculated Property |
| Cp,gas | 411.16 | J/mol×K | 671.06 | Joback Calculated Property |
| Cp,gas | 424.29 | J/mol×K | 709.08 | Joback Calculated Property |
| Cp,gas | 436.54 | J/mol×K | 747.09 | Joback Calculated Property |
| Cp,gas | 447.95 | J/mol×K | 785.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-tert-Butyl-6-methylaniline.
Sources
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