- InChI
- InChI=1S/C20H26N2O/c1-2-9-20(23)22(16-17-10-4-3-5-11-17)19-14-7-6-12-18(19)13-8-15-21/h3-5,10-11,14,18H,2,6-9,12-13,16H2,1H3
- InChI Key
- NPUTWCIUHVADOH-UHFFFAOYSA-N
- Formula
- C20H26N2O
- SMILES
-
CCCC(=O)N(Cc1ccccc1)C1=CCCCC1C
CC#N - Molecular Weight1
- 310.43
- CAS
- 85019-63-2
- 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° | 389.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 0.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.04 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 4.803 | Crippen Calculated Property | |
| McVol | 266.670 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Tboil | 875.76 | K | Joback Calculated Property |
| Tc | 1102.30 | K | Joback Calculated Property |
| Tfus | 509.63 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.31; 917.35] | J/mol×K | [875.76; 1102.30] | 
|
| Cp,gas | 839.31 | J/mol×K | 875.76 | Joback Calculated Property |
| Cp,gas | 855.16 | J/mol×K | 913.52 | Joback Calculated Property |
| Cp,gas | 869.75 | J/mol×K | 951.27 | Joback Calculated Property |
| Cp,gas | 883.19 | J/mol×K | 989.03 | Joback Calculated Property |
| Cp,gas | 895.54 | J/mol×K | 1026.79 | Joback Calculated Property |
| Cp,gas | 906.90 | J/mol×K | 1064.54 | Joback Calculated Property |
| Cp,gas | 917.35 | J/mol×K | 1102.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(N-Benzyl-N-butanoyl)amino-6-(2-cycnoethyl)cyclohexene.
Sources
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