- InChI
- InChI=1S/C21H28N2O/c1-2-3-15-21(24)23(17-18-10-5-4-6-11-18)20-14-8-7-12-19(20)13-9-16-22/h4-6,10-11,14,19H,2-3,7-9,12-13,15,17H2,1H3
- InChI Key
- DJCCMGJAIYGHMH-UHFFFAOYSA-N
- Formula
- C21H28N2O
- SMILES
-
CCCCC(=O)N(Cc1ccccc1)C1=CCCCC1
CCC#N - Molecular Weight1
- 324.46
- CAS
- 85031-41-0
- 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° | 398.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.42 | Crippen Calculated Property | |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 280.760 | ml/mol | McGowan Calculated Property |
| Pc | 1433.72 | kPa | Joback Calculated Property |
| Tboil | 898.64 | K | Joback Calculated Property |
| Tc | 1123.61 | K | Joback Calculated Property |
| Tfus | 520.90 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.23; 976.92] | J/mol×K | [898.64; 1123.61] | 
|
| Cp,gas | 898.23 | J/mol×K | 898.64 | Joback Calculated Property |
| Cp,gas | 914.16 | J/mol×K | 936.14 | Joback Calculated Property |
| Cp,gas | 928.84 | J/mol×K | 973.63 | Joback Calculated Property |
| Cp,gas | 942.38 | J/mol×K | 1011.13 | Joback Calculated Property |
| Cp,gas | 954.84 | J/mol×K | 1048.62 | Joback Calculated Property |
| Cp,gas | 966.33 | J/mol×K | 1086.12 | Joback Calculated Property |
| Cp,gas | 976.92 | J/mol×K | 1123.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(N-Benzyl-N-pentanoyl)amino-6-(2-cyanoethyl)cyclohexene.
Sources
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