- InChI
- InChI=1S/C18H21N3O2/c1-2-3-7-14-23-18(22)19-15-10-12-17(13-11-15)21-20-16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,19,22)/b21-20+
- InChI Key
- WNTMFCCTXKRZLX-QZQOTICOSA-N
- Formula
- C18H21N3O2
- SMILES
-
CCCCCOC(=O)Nc1ccc(N=Nc2ccccc2)
cc1 - Molecular Weight1
- 311.38
- CAS
- 93995-95-0
- 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 | 0.9365 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -72.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.841 | Crippen Calculated Property | |
| McVol | 250.040 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Tboil | 672.99 | K | Relay (1.0) Calculated Property |
| Tc | 955.43 | K | Relay (1.0) Calculated Property |
| Tfus | 376.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid,n-pentyl 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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