- InChI
- InChI=1S/C10H12N4O5/c1-6(2)10(15)12-11-8-4-3-7(13(16)17)5-9(8)14(18)19/h3-6,11H,1-2H3,(H,12,15)
- InChI Key
- MZMAYJWVQDIJDO-UHFFFAOYSA-N
- Formula
- C10H12N4O5
- SMILES
-
CC(C)C(=O)NNc1ccc([N+](=O)[O-]
)cc1[N+](=O)[O-] - Molecular Weight1
- 268.23
- CAS
- 7461-93-0
- 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 | 0.8203 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.602 | Crippen Calculated Property | |
| McVol | 184.370 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 575.02 | K | Relay (1.0) Calculated Property |
| Tc | 921.66 | K | Relay (1.0) Calculated Property |
| Tfus | 445.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.09; 590.81] | J/mol×K | [922.29; 1179.08] | 
|
| Cp,gas | 551.09 | J/mol×K | 922.29 | Joback Calculated Property |
| Cp,gas | 559.94 | J/mol×K | 965.09 | Joback Calculated Property |
| Cp,gas | 567.81 | J/mol×K | 1007.89 | Joback Calculated Property |
| Cp,gas | 574.77 | J/mol×K | 1050.69 | Joback Calculated Property |
| Cp,gas | 580.88 | J/mol×K | 1093.48 | Joback Calculated Property |
| Cp,gas | 586.21 | J/mol×K | 1136.28 | Joback Calculated Property |
| Cp,gas | 590.81 | J/mol×K | 1179.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, 2(2,4-dinitrophenyl) hydrazide.
Sources
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