- InChI
- InChI=1S/C9H10N4O5/c1-2-9(14)11-10-7-4-3-6(12(15)16)5-8(7)13(17)18/h3-5,10H,2H2,1H3,(H,11,14)
- InChI Key
- WHZKXONNRZZZSH-UHFFFAOYSA-N
- Formula
- C9H10N4O5
- SMILES
-
CCC(=O)NNc1ccc([N+](=O)[O-])cc
1[N+](=O)[O-] - Molecular Weight1
- 254.20
- CAS
- 6561-63-3
- 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° | 239.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 1.356 | Crippen Calculated Property | |
| McVol | 170.280 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Tboil | 899.85 | K | Joback Calculated Property |
| Tc | 1156.98 | K | Joback Calculated Property |
| Tfus | 685.12 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.15; 533.80] | J/mol×K | [899.85; 1156.98] | 
|
| Cp,gas | 496.15 | J/mol×K | 899.85 | Joback Calculated Property |
| Cp,gas | 504.53 | J/mol×K | 942.70 | Joback Calculated Property |
| Cp,gas | 511.98 | J/mol×K | 985.56 | Joback Calculated Property |
| Cp,gas | 518.58 | J/mol×K | 1028.41 | Joback Calculated Property |
| Cp,gas | 524.38 | J/mol×K | 1071.27 | Joback Calculated Property |
| Cp,gas | 529.43 | J/mol×K | 1114.12 | Joback Calculated Property |
| Cp,gas | 533.80 | J/mol×K | 1156.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 2-(2,4-dinitrophenyl) hydrazide.
Sources
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