- InChI
- InChI=1S/C19H24N2O/c1-2-19(22)21(15-16-9-4-3-5-10-16)18-13-7-6-11-17(18)12-8-14-20/h3-5,9-10,13,17H,2,6-8,11-12,15H2,1H3
- InChI Key
- NTKABYRJEDLESM-UHFFFAOYSA-N
- Formula
- C19H24N2O
- SMILES
-
CCC(=O)N(Cc1ccccc1)C1=CCCCC1CC
C#N - Molecular Weight1
- 296.41
- CAS
- 85019-62-1
- 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° | 381.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 4.413 | Crippen Calculated Property | |
| McVol | 252.580 | ml/mol | McGowan Calculated Property |
| Pc | 1667.33 | kPa | Joback Calculated Property |
| Tboil | 852.88 | K | Joback Calculated Property |
| Tc | 1081.67 | K | Joback Calculated Property |
| Tfus | 498.36 | K | Joback Calculated Property |
| Vc | 0.961 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.14; 858.49] | J/mol×K | [852.88; 1081.67] | 
|
| Cp,gas | 781.14 | J/mol×K | 852.88 | Joback Calculated Property |
| Cp,gas | 796.90 | J/mol×K | 891.01 | Joback Calculated Property |
| Cp,gas | 811.40 | J/mol×K | 929.14 | Joback Calculated Property |
| Cp,gas | 824.73 | J/mol×K | 967.28 | Joback Calculated Property |
| Cp,gas | 836.97 | J/mol×K | 1005.41 | Joback Calculated Property |
| Cp,gas | 848.19 | J/mol×K | 1043.54 | Joback Calculated Property |
| Cp,gas | 858.49 | J/mol×K | 1081.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(N-Benzyl-N-propionyl)amino-6-(2-cyanoethyl)cyclohexene.
Sources
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