- InChI
- InChI=1S/C28H35N3O2/c1-19-10-15-23-26(2,3)24-18-28(19,23)17-16-27(24,4)33-25(32)29-20-11-13-22(14-12-20)31-30-21-8-6-5-7-9-21/h5-9,11-14,19,23-24H,10,15-18H2,1-4H3,(H,29,32)/b31-30+
- InChI Key
- KVAHSFBEHKORJU-NVQSTNCTSA-N
- Formula
- C28H35N3O2
- SMILES
-
CC1CCC2C(C)(C)C3CC12CCC3(C)OC(
=O)Nc1ccc(N=Nc2ccccc2)cc1 - Molecular Weight1
- 445.60
- CAS
- 103306-68-9
- 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 | -112.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.10 | kJ/mol | Joback Calculated Property |
| log10WS | -8.23 | Crippen Calculated Property | |
| logPoct/wat | 8.282 | Crippen Calculated Property | |
| McVol | 358.360 | ml/mol | McGowan Calculated Property |
| Pc | 1121.55 | kPa | Joback Calculated Property |
| Tboil | 1189.51 | K | Joback Calculated Property |
| Tc | 1466.37 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenyl azo carbanilic acid, cedrol ester.
Sources
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