- InChI
- InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
- InChI Key
- AVKNGPAMCBSNSO-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- NCC1CCCCC1
- Molecular Weight1
- 113.20
- CAS
- 3218-02-8
- Other Names
-
- (Aminomethyl)cyclohexane
- Cyclohexylmethanamine
- Cyclohexylmethylamine
- c-C6H11CH2NH2
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3424 | Relay (1.0) Calculated Property | |
| PAff | 926.60 | kJ/mol | NIST |
| BasG | 895.80 | kJ/mol | NIST |
| ΔfG° | 98.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.525 | Crippen Calculated Property | |
| McVol | 108.610 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | [419.20; 436.00] | K |
|
| Tboil | 419.20 | K | NIST |
| Tboil | 436.00 | K | NIST |
| Tc | 652.21 | K | Relay (1.0) Calculated Property |
| Tfus | 287.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.23; 401.51] | 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 | -6.25890e+01 | |||
| Coefficient B | 8.52800e-01 | |||
| Coefficient C | -4.81400e-04 | |||
| Coefficient D | 9.27000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 347.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.51 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanemethylamine.
Sources
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