- InChI
- InChI=1S/C11H17N/c1-9-5-7-10(8-6-9)12-11(2,3)4/h5-8,12H,1-4H3
- InChI Key
- XVOOKSRPDMBTAI-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- Cc1ccc(NC(C)(C)C)cc1
- Molecular Weight1
- 163.26
- CAS
- 10219-31-5
- 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 | 0.4774 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.205 | Crippen Calculated Property | |
| McVol | 152.070 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Tboil | 502.55 | K | Relay (1.0) Calculated Property |
| Tc | 722.91 | K | Relay (1.0) Calculated Property |
| Tfus | 311.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.99; 439.56] | J/mol×K | [529.68; 747.19] | 
|
| Cp,gas | 353.99 | J/mol×K | 529.68 | Joback Calculated Property |
| Cp,gas | 370.79 | J/mol×K | 565.93 | Joback Calculated Property |
| Cp,gas | 386.49 | J/mol×K | 602.18 | Joback Calculated Property |
| Cp,gas | 401.16 | J/mol×K | 638.44 | Joback Calculated Property |
| Cp,gas | 414.86 | J/mol×K | 674.69 | Joback Calculated Property |
| Cp,gas | 427.64 | J/mol×K | 710.94 | Joback Calculated Property |
| Cp,gas | 439.56 | J/mol×K | 747.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-methyl-n-tert-butyl-.
Sources
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