- InChI
- InChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
- InChI Key
- SQGBZKZDUMBTIJ-UHFFFAOYSA-N
- Formula
- C9H17N
- SMILES
- C=CCNC1CCCCC1
- Molecular Weight1
- 139.24
- Other Names
-
- N-allylcyclohexylamine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfusH° | 14.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.095 | Crippen Calculated Property | |
| McVol | 132.490 | ml/mol | McGowan Calculated Property |
| Tboil | 463.72 | K | Relay (1.0) Calculated Property |
| Tfus | 238.68 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 338.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.66; 477.10] | 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 | -7.50990e+01 | |||
| Coefficient B | 1.03710e+00 | |||
| Coefficient C | -6.18300e-04 | |||
| Coefficient D | 1.33400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 164.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 313.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 351.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 384.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 477.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to ALLYLCYCLOHEXYLAMINE.
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
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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