- InChI
- InChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-8-9-13-20-29-24(28)25-21-16-18-23(19-17-21)27-26-22-14-11-10-12-15-22/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,28)/b27-26+
- InChI Key
- KMABDBDYQMWHMX-CYYJNZCTSA-N
- Formula
- C24H33N3O2
- SMILES
-
CCCCCCCCCCCOC(=O)Nc1ccc(N=Nc2c
cccc2)cc1 - Molecular Weight1
- 395.54
- CAS
- 95747-68-5
- 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 | 1.1789 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -210.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.181 | Crippen Calculated Property | |
| McVol | 334.580 | ml/mol | McGowan Calculated Property |
| Pc | 1055.51 | kPa | Joback Calculated Property |
| Tboil | 715.17 | K | Relay (1.0) Calculated Property |
| Tc | 991.53 | K | Relay (1.0) Calculated Property |
| Tfus | 375.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.229 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, n-undecyl 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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