- InChI
- InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2
- InChI Key
- ZRMMVODKVLXCBB-UHFFFAOYSA-N
- Formula
- C18H22N2
- SMILES
- c1ccc(Nc2ccc(NC3CCCCC3)cc2)cc1
- Molecular Weight1
- 266.38
- CAS
- 101-87-1
- Other Names
-
- N-cyclohexyl-N'-phenyl-p-phenylenediamine
- 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 | 0.6411 | Relay (1.0) Calculated Property | |
| ΔfG° | 519.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 122.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.175 | Crippen Calculated Property | |
| McVol | 226.060 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Tboil | 688.70 | K | Relay (1.0) Calculated Property |
| Tc | 1004.36 | K | Relay (1.0) Calculated Property |
| Tfus | 366.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.29; 778.65] | J/mol×K | [789.47; 1042.92] | 
|
| Cp,gas | 687.29 | J/mol×K | 789.47 | Joback Calculated Property |
| Cp,gas | 706.41 | J/mol×K | 831.71 | Joback Calculated Property |
| Cp,gas | 723.82 | J/mol×K | 873.95 | Joback Calculated Property |
| Cp,gas | 739.63 | J/mol×K | 916.20 | Joback Calculated Property |
| Cp,gas | 753.96 | J/mol×K | 958.44 | Joback Calculated Property |
| Cp,gas | 766.93 | J/mol×K | 1000.68 | Joback Calculated Property |
| Cp,gas | 778.65 | J/mol×K | 1042.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-phenyl n'-cyclohexyl p-phenylene diamine.
Sources
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