- InChI
- InChI=1S/C10H21N/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7,11H2,1-3H3
- InChI Key
- BGNLXETYTAAURD-UHFFFAOYSA-N
- Formula
- C10H21N
- SMILES
- CC(C)(C)C1CCC(N)CC1
- Molecular Weight1
- 155.28
- CAS
- 5400-88-4
- Other Names
-
- 4-tert-Butylcyclohexylamine,c&t
- Cyclohexanamine, 4-(1,1-dimethylethyl)-
- 4-Tert-butylcyclohexyl amine (cis+trans)
- 4-tert-butylcyclohexylamine
- ω : Acentric Factor.
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3472 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -166.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.550 | Crippen Calculated Property | |
| McVol | 150.880 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Tboil | 482.94 | K | Relay (1.0) Calculated Property |
| Tc | 681.71 | K | Relay (1.0) Calculated Property |
| Tfus | 292.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 | [200.68; 564.41] | 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 | -8.38500e+01 | |||
| Coefficient B | 1.23716e+00 | |||
| Coefficient C | -7.61000e-04 | |||
| Coefficient D | 1.72100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 324.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 375.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 419.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 458.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 491.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 519.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 544.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 564.41 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-t-Butylcyclohexylamine.
Sources
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