- InChI
- InChI=1S/C10H12N4O5/c1-2-3-10(15)12-11-8-5-4-7(13(16)17)6-9(8)14(18)19/h4-6,11H,2-3H2,1H3,(H,12,15)
- InChI Key
- GSBZMZQCPPJDRM-UHFFFAOYSA-N
- Formula
- C10H12N4O5
- SMILES
-
CCCC(=O)NNc1ccc([N+](=O)[O-])c
c1[N+](=O)[O-] - Molecular Weight1
- 268.23
- CAS
- 6561-60-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 247.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 1.746 | Crippen Calculated Property | |
| McVol | 184.370 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 922.73 | K | Joback Calculated Property |
| Tc | 1175.64 | K | Joback Calculated Property |
| Tfus | 696.39 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.52; 590.43] | J/mol×K | [922.73; 1175.64] | 
|
| Cp,gas | 550.52 | J/mol×K | 922.73 | Joback Calculated Property |
| Cp,gas | 559.30 | J/mol×K | 964.88 | Joback Calculated Property |
| Cp,gas | 567.14 | J/mol×K | 1007.03 | Joback Calculated Property |
| Cp,gas | 574.11 | J/mol×K | 1049.19 | Joback Calculated Property |
| Cp,gas | 580.28 | J/mol×K | 1091.34 | Joback Calculated Property |
| Cp,gas | 585.70 | J/mol×K | 1133.49 | Joback Calculated Property |
| Cp,gas | 590.43 | J/mol×K | 1175.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-(2,4-dinitrophenyl) hydrazide.
Sources
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