- InChI
- InChI=1S/C23H36N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h14,18-21H,6-13H2,1-5H3/t18?,19-,20?,21?,22+,23-/m0/s1
- InChI Key
- WCBFSBXYZBTGBQ-JYVPLEQZSA-N
- Formula
- C23H36N2O2
- SMILES
-
CON=C1C=C2CCC3C(CCC4(C)C(C(C)=
NOC)CCC34)C2(C)CC1 - Molecular Weight1
- 372.54
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -372.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 5.590 | Crippen Calculated Property | |
| McVol | 310.290 | ml/mol | McGowan Calculated Property |
| Pc | 1112.59 | kPa | Joback Calculated Property |
| Inp | 2913.00 | NIST | |
| Tboil | 969.79 | K | Joback Calculated Property |
| Tc | 1217.22 | K | Joback Calculated Property |
Similar Compounds
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Sources
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