- InChI
- InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
- InChI Key
- IUDMXOOVKMKODN-UHFFFAOYSA-N
- Formula
- C8H15N
- SMILES
- NCCC1=CCCCC1
- Molecular Weight1
- 125.21
- Other Names
-
- 1-Cyclohexene-1-ethanamine
- «beta»-(1-Cyclohexenyl)ethylamine
- Cyclohexenylethylamine
- 1-Cyclohexen-1-ylethylamine
- 2-(1-Cyclohexen-1-yl)ethylamine
- cyclohex-1-ene-1-ethylamine
- 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).
- 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 | -26.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.836 | Crippen Calculated Property | |
| McVol | 118.400 | ml/mol | McGowan Calculated Property |
| Tboil | 464.06 | K | Relay (1.0) Calculated Property |
| Tfus | 235.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [260.91; 342.20] | J/mol×K | [483.33; 701.79] | 
|
| Cp,gas | 260.91 | J/mol×K | 483.33 | Joback Calculated Property |
| Cp,gas | 276.58 | J/mol×K | 519.74 | Joback Calculated Property |
| Cp,gas | 291.36 | J/mol×K | 556.15 | Joback Calculated Property |
| Cp,gas | 305.28 | J/mol×K | 592.56 | Joback Calculated Property |
| Cp,gas | 318.37 | J/mol×K | 628.97 | Joback Calculated Property |
| Cp,gas | 330.66 | J/mol×K | 665.38 | Joback Calculated Property |
| Cp,gas | 342.20 | J/mol×K | 701.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 326.70 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to 2-(1-CYCLOHEXENYL)ETHYLAMINE.
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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