- InChI
- InChI=1S/C23H27N3O2/c1-16(2)21-14-9-17(3)15-22(21)28-23(27)24-18-10-12-20(13-11-18)26-25-19-7-5-4-6-8-19/h4-13,16,21-22H,14-15H2,1-3H3,(H,24,27)
- InChI Key
- KNGBJNQXPCNLFK-UHFFFAOYSA-N
- Formula
- C23H27N3O2
- SMILES
-
CC1=CCC(C(C)C)C(OC(=O)Nc2ccc(N
=Nc3ccccc3)cc2)C1 - Molecular Weight1
- 377.48
- 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 | 0.8558 | Relay (1.0) Calculated Property | |
| ΔfG° | 295.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -36.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.031 | Crippen Calculated Property | |
| McVol | 305.330 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Tboil | 708.98 | K | Relay (1.0) Calculated Property |
| Tc | 1013.64 | K | Relay (1.0) Calculated Property |
| Tfus | 387.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.044 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, 4-terpinenol 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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