- 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
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9552 | Relay (1.0) Calculated Property | |
| ΔfG° | 377.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 48.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 147.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.01 | Relay (1.0) 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 | 740.36 | K | Relay (1.0) Calculated Property |
| Tc | 1133.86 | K | Relay (1.0) Calculated Property |
| Tfus | 462.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.246 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, santalol ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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