- InChI
- InChI=1S/C25H35N3O2/c1-2-3-4-5-6-7-8-9-10-14-21-30-25(29)26-22-17-19-24(20-18-22)28-27-23-15-12-11-13-16-23/h11-13,15-20H,2-10,14,21H2,1H3,(H,26,29)/b28-27+
- InChI Key
- REQDTJIKQMTNTK-BYYHNAKLSA-N
- Formula
- C25H35N3O2
- SMILES
-
CCCCCCCCCCCCOC(=O)Nc1ccc(N=Nc2
ccccc2)cc1 - Molecular Weight1
- 409.56
- CAS
- 95961-99-2
- 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 | 1.2170 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -233.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.571 | Crippen Calculated Property | |
| McVol | 348.670 | ml/mol | McGowan Calculated Property |
| Pc | 992.63 | kPa | Joback Calculated Property |
| Tboil | 721.78 | K | Relay (1.0) Calculated Property |
| Tc | 997.44 | K | Relay (1.0) Calculated Property |
| Tfus | 376.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.283 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, n-dodecyl 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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