- InChI
- InChI=1S/C20H15N3O4/c24-19(14-7-3-1-4-8-14)21-17-12-11-16(23(26)27)13-18(17)22-20(25)15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,22,25)
- InChI Key
- MTUBWAMJLNCCHT-UHFFFAOYSA-N
- Formula
- C20H15N3O4
- SMILES
-
O=[N+]([O-])c1ccc(N=C(O)c2cccc
c2)c(N=C(O)c2ccccc2)c1 - Molecular Weight1
- 361.35
- CAS
- 128049-26-3
- 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 | 1.1117 | Relay (1.0) Calculated Property | |
| ΔfG° | 328.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 1.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 163.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.867 | Crippen Calculated Property | |
| McVol | 261.900 | ml/mol | McGowan Calculated Property |
| Pc | 2106.13 | kPa | Joback Calculated Property |
| Tboil | 695.35 | K | Relay (1.0) Calculated Property |
| Tc | 1137.17 | K | Relay (1.0) Calculated Property |
| Tfus | 479.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.908 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dibenzamido-nitro-benzene.
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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