- InChI
- InChI=1S/C8H8N4O5/c1-5(13)9-10-7-3-2-6(11(14)15)4-8(7)12(16)17/h2-4,10H,1H3,(H,9,13)
- InChI Key
- NYZGFEVPHFYXKA-UHFFFAOYSA-N
- Formula
- C8H8N4O5
- SMILES
-
CC(=O)NNc1ccc([N+](=O)[O-])cc1
[N+](=O)[O-] - Molecular Weight1
- 240.17
- CAS
- 2719-07-5
- 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 | 0.7901 | Relay (1.0) Calculated Property | |
| ΔfG° | 230.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -72.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.966 | Crippen Calculated Property | |
| McVol | 156.190 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 578.10 | K | Relay (1.0) Calculated Property |
| Tc | 925.52 | K | Relay (1.0) Calculated Property |
| Tfus | 434.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.69; 477.74] | J/mol×K | [876.97; 1139.02] | 
|
| Cp,gas | 442.69 | J/mol×K | 876.97 | Joback Calculated Property |
| Cp,gas | 450.60 | J/mol×K | 920.64 | Joback Calculated Property |
| Cp,gas | 457.61 | J/mol×K | 964.32 | Joback Calculated Property |
| Cp,gas | 463.78 | J/mol×K | 1007.99 | Joback Calculated Property |
| Cp,gas | 469.15 | J/mol×K | 1051.67 | Joback Calculated Property |
| Cp,gas | 473.79 | J/mol×K | 1095.34 | Joback Calculated Property |
| Cp,gas | 477.74 | J/mol×K | 1139.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 2-(2,4-dinitrophenyl) hydrazide.
Sources
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