- InChI
- InChI=1S/C18H22N2O/c1-15(21)20(14-16-8-3-2-4-9-16)18-12-6-5-10-17(18)11-7-13-19/h2-4,8-9,12,17H,5-7,10-11,14H2,1H3
- InChI Key
- LXYILFDQWXGWHI-UHFFFAOYSA-N
- Formula
- C18H22N2O
- SMILES
-
CC(=O)N(Cc1ccccc1)C1=CCCCC1CCC
#N - Molecular Weight1
- 282.38
- CAS
- 82365-22-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 372.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.023 | Crippen Calculated Property | |
| McVol | 238.490 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Tboil | 830.00 | K | Joback Calculated Property |
| Tc | 1061.70 | K | Joback Calculated Property |
| Tfus | 487.09 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.77; 800.33] | J/mol×K | [830.00; 1061.70] | 
|
| Cp,gas | 723.77 | J/mol×K | 830.00 | Joback Calculated Property |
| Cp,gas | 739.44 | J/mol×K | 868.62 | Joback Calculated Property |
| Cp,gas | 753.83 | J/mol×K | 907.23 | Joback Calculated Property |
| Cp,gas | 767.04 | J/mol×K | 945.85 | Joback Calculated Property |
| Cp,gas | 779.13 | J/mol×K | 984.47 | Joback Calculated Property |
| Cp,gas | 790.20 | J/mol×K | 1023.09 | Joback Calculated Property |
| Cp,gas | 800.33 | J/mol×K | 1061.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(N-Benzyl-N-acetyl)amino-6-(2-cyanoethyl)cyclohexene.
Sources
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