- InChI
- InChI=1S/C11H17N/c1-9-6-5-7-10(8-9)12-11(2,3)4/h5-8,12H,1-4H3
- InChI Key
- HSWVXQUVZGSPNW-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- Cc1cccc(NC(C)(C)C)c1
- Molecular Weight1
- 163.26
- CAS
- 10250-14-3
- 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 | 0.4724 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -31.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | 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 | 502.88 | K | Relay (1.0) Calculated Property |
| Tc | 731.36 | K | Relay (1.0) Calculated Property |
| Tfus | 268.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.85; 503.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.24000e+01 | |||
| Coefficient B | 1.11248e+00 | |||
| Coefficient C | -7.59160e-04 | |||
| Coefficient D | 2.02700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 255.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 304.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 383.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 415.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 442.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 466.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 486.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 503.62 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 3-methyl-n-tert-butyl-.
Sources
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