- InChI
- InChI=1S/C8H8N4O4/c9-8(14)11-10-7(13)5-1-3-6(4-2-5)12(15)16/h1-4H,(H,10,13)(H3,9,11,14)
- InChI Key
- PKZCWOZBUIFLBT-UHFFFAOYSA-N
- Formula
- C8H8N4O4
- SMILES
-
NC(=O)NNC(=O)c1ccc([N+](=O)[O-
])cc1 - Molecular Weight1
- 224.17
- CAS
- 73859-73-1
- 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 | 0.8652 | Relay (... Calculated Property | |
| ΔfG° | 142.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -2.91 | Relay (... Calculated Property | |
| logPoct/wat | -0.092 | Crippen Calculated Property | |
| McVol | 150.320 | ml/mol | McGowan Calculated Property |
| Pc | 4762.81 | kPa | Joback Calculated Property |
| Tboil | 586.13 | K | Relay (... Calculated Property |
| Tc | 934.02 | K | Relay (... Calculated Property |
| Tfus | 500.21 | K | Relay (... Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.34; 455.02] | J/mol×K | [846.55; 1100.50] | 
|
| Cp,gas | 420.34 | J/mol×K | 846.55 | Joback Calculated Property |
| Cp,gas | 428.10 | J/mol×K | 888.88 | Joback Calculated Property |
| Cp,gas | 435.00 | J/mol×K | 931.20 | Joback Calculated Property |
| Cp,gas | 441.09 | J/mol×K | 973.53 | Joback Calculated Property |
| Cp,gas | 446.42 | J/mol×K | 1015.85 | Joback Calculated Property |
| Cp,gas | 451.05 | J/mol×K | 1058.18 | Joback Calculated Property |
| Cp,gas | 455.02 | J/mol×K | 1100.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(P-nitro benzoyl) semicarbazide.
Sources
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