- InChI
- InChI=1S/C16H27N/c1-12(2)11-13(3)17-15-9-7-14(8-10-15)16(4,5)6/h7-10,12-13,17H,11H2,1-6H3
- InChI Key
- FMRJPZKPQMPPAA-UHFFFAOYSA-N
- Formula
- C16H27N
- SMILES
- CC(C)CC(C)Nc1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 233.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -157.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.831 | Crippen Calculated Property | |
| McVol | 222.520 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Tboil | 566.93 | K | Relay (1.0) Calculated Property |
| Tc | 782.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.29; 762.65] | 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 | -6.03090e+01 | |||
| Coefficient B | 1.59932e+00 | |||
| Coefficient C | -1.03756e-03 | |||
| Coefficient D | 2.61200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 304.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 387.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 460.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 524.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 579.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 627.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 669.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 705.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 735.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 762.65 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-tert-butyl-n-(1,3-dimethylbutyl)-.
Sources
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