- InChI
- InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
- InChI Key
- TXTHKGMZDDTZFD-UHFFFAOYSA-N
- Formula
- C12H17N
- SMILES
- c1ccc(NC2CCCCC2)cc1
- Molecular Weight1
- 175.27
- CAS
- 1821-36-9
- Other Names
-
- Aniline, N-cyclohexyl-
- Benzenamine, N-cyclohexyl-
- Cyclohexanamine, N-phenyl-
- Cyclohexylamine, N-phenyl-
- Cyclohexylphenylamine
- Diphenylamine, ar-hexahydro-
- N-Cyclohexylaniline
- N-Cyclohexylbenzenamine
- NSC 27510
- Phenylcyclohexylamine
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 30.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.81 | kJ/mol | Joback Calculated Property |
| IE | 7.45 | eV | NIST |
| logPoct/wat | 3.431 | Crippen Calculated Property | |
| McVol | 155.300 | ml/mol | McGowan Calculated Property |
| Tboil | 562.42 | K | Relay (1.0) Calculated Property |
| Tfus | 292.77 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.79; 490.49] | J/mol×K | [570.56; 810.17] | 
|
| Cp,gas | 387.79 | J/mol×K | 570.56 | Joback Calculated Property |
| Cp,gas | 408.39 | J/mol×K | 610.50 | Joback Calculated Property |
| Cp,gas | 427.51 | J/mol×K | 650.43 | Joback Calculated Property |
| Cp,gas | 445.21 | J/mol×K | 690.37 | Joback Calculated Property |
| Cp,gas | 461.56 | J/mol×K | 730.30 | Joback Calculated Property |
| Cp,gas | 476.63 | J/mol×K | 770.24 | Joback Calculated Property |
| Cp,gas | 490.49 | J/mol×K | 810.17 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 464.70 | K | 9.70 | NIST |
Similar Compounds
Find more compounds similar to N-Phenylcyclohexylamine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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