- InChI
- InChI=1S/C28H33N3O2/c1-19(8-7-15-27(2)20-16-24-25(17-20)28(24,27)3)18-33-26(32)29-21-11-13-23(14-12-21)31-30-22-9-5-4-6-10-22/h4-6,8-14,20,24-25H,7,15-18H2,1-3H3,(H,29,32)/b19-8+,31-30?
- InChI Key
- YZHGYPCCSDHJCK-CLRLYFTESA-N
- Formula
- C28H33N3O2
- SMILES
-
CC(=CCCC1(C)C2CC3C(C2)C31C)COC
(=O)Nc1ccc(N=Nc2ccccc2)cc1 - Molecular Weight1
- 443.58
- CAS
- 107894-67-7
- 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).
- 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 | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.91 | kJ/mol | Joback Calculated Property |
| log10WS | -7.97 | Crippen Calculated Property | |
| logPoct/wat | 8.059 | Crippen Calculated Property | |
| McVol | 354.060 | ml/mol | McGowan Calculated Property |
| Pc | 1081.35 | kPa | Joback Calculated Property |
| Tboil | 1180.90 | K | Joback Calculated Property |
| Tc | 1448.87 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, santalol ester.
Sources
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