- InChI
- InChI=1S/C20H26N2O/c1-16(2)20(23)22(15-17-9-4-3-5-10-17)19-13-7-6-11-18(19)12-8-14-21/h3-5,9-10,13,16,18H,6-8,11-12,15H2,1-2H3
- InChI Key
- QWWSKVKYJQRAHH-UHFFFAOYSA-N
- Formula
- C20H26N2O
- SMILES
-
CC(C)C(=O)N(Cc1ccccc1)C1=CCCCC
1CCC#N - Molecular Weight1
- 310.43
- CAS
- 85019-65-4
- 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° | 387.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 4.659 | Crippen Calculated Property | |
| McVol | 266.670 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Tboil | 875.32 | K | Joback Calculated Property |
| Tc | 1104.85 | K | Joback Calculated Property |
| Tfus | 494.63 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.83; 918.31] | J/mol×K | [875.32; 1104.85] | 
|
| Cp,gas | 839.83 | J/mol×K | 875.32 | Joback Calculated Property |
| Cp,gas | 855.86 | J/mol×K | 913.58 | Joback Calculated Property |
| Cp,gas | 870.58 | J/mol×K | 951.83 | Joback Calculated Property |
| Cp,gas | 884.10 | J/mol×K | 990.09 | Joback Calculated Property |
| Cp,gas | 896.51 | J/mol×K | 1028.34 | Joback Calculated Property |
| Cp,gas | 907.88 | J/mol×K | 1066.60 | Joback Calculated Property |
| Cp,gas | 918.31 | J/mol×K | 1104.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(N-Benzyl-N-isobutyryl)amino-6-(2-cyanoethyl)cyclohexene.
Sources
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