- InChI
- InChI=1S/C23H27N3O2/c1-22(2)16-13-14-23(3,15-16)20(22)28-21(27)24-17-9-11-19(12-10-17)26-25-18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,24,27)
- InChI Key
- XGYMCAYACKAZLC-UHFFFAOYSA-N
- Formula
- C23H27N3O2
- SMILES
-
CC12CCC(C1)C(C)(C)C2OC(=O)Nc1c
cc(N=Nc2ccccc2)cc1 - Molecular Weight1
- 377.48
- CAS
- 133371-97-8
- 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 | 0.8730 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -79.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.865 | Crippen Calculated Property | |
| McVol | 298.770 | ml/mol | McGowan Calculated Property |
| Pc | 1399.59 | kPa | Joback Calculated Property |
| Tboil | 705.13 | K | Relay (1.0) Calculated Property |
| Tc | 1057.22 | K | Relay (1.0) Calculated Property |
| Tfus | 422.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.066 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, alpha-fenchyl 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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