- InChI
- InChI=1S/C16H14N4O6/c1-9(21)17-13-5-3-11(7-15(13)19(23)24)12-4-6-14(18-10(2)22)16(8-12)20(25)26/h3-8H,1-2H3,(H,17,21)(H,18,22)
- InChI Key
- VGFDUXNDMUMYHD-UHFFFAOYSA-N
- Formula
- C16H14N4O6
- SMILES
-
CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(
[N+](=O)[O-])c2)cc1[N+](=O)[O- ] - Molecular Weight1
- 358.31
- CAS
- 6378-90-1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 1.0078 | Relay (1.0) Calculated Property | |
| ΔfG° | 262.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.087 | Crippen Calculated Property | |
| McVol | 246.720 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Tboil | 677.13 | K | Relay (1.0) Calculated Property |
| Tc | 1091.05 | K | Relay (1.0) Calculated Property |
| Tfus | 496.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.841 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.05; 788.82] | J/mol×K | [1150.52; 1424.94] | 
|
| Cp,gas | 767.05 | J/mol×K | 1150.52 | Joback Calculated Property |
| Cp,gas | 772.81 | J/mol×K | 1196.26 | Joback Calculated Property |
| Cp,gas | 777.59 | J/mol×K | 1241.99 | Joback Calculated Property |
| Cp,gas | 781.48 | J/mol×K | 1287.73 | Joback Calculated Property |
| Cp,gas | 784.59 | J/mol×K | 1333.47 | Joback Calculated Property |
| Cp,gas | 787.00 | J/mol×K | 1379.20 | Joback Calculated Property |
| Cp,gas | 788.82 | J/mol×K | 1424.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2'-Dinitro-4,4'-biacetanilide.
Sources
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