- InChI
- InChI=1S/C10H5N3O2/c11-6-9(7-12)4-8-2-1-3-10(5-8)13(14)15/h1-5H
- InChI Key
- UQMJZLGIKHAOQZ-UHFFFAOYSA-N
- Formula
- C10H5N3O2
- SMILES
-
N#CC(C#N)=Cc1cccc([N+](=O)[O-]
)c1 - Molecular Weight1
- 199.17
- CAS
- 2826-32-6
- Other Names
-
- (3-Nitrobenzylidene)malononitrile
- m-Nitrobenzylidenemalononitrile
- Malononitrile, (m-nitrobenzylidene)-
- Propanedinitrile, ((3-nitrophenyl)methylene)-
- 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° | 509.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 401.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 2.025 | Crippen Calculated Property | |
| McVol | 143.880 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Tboil | 819.90 | K | Joback Calculated Property |
| Tc | 1089.58 | K | Joback Calculated Property |
| Tfus | 495.95 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.55; 392.58] | J/mol×K | [819.90; 1089.58] | 
|
| Cp,gas | 355.55 | J/mol×K | 819.90 | Joback Calculated Property |
| Cp,gas | 363.03 | J/mol×K | 864.85 | Joback Calculated Property |
| Cp,gas | 369.87 | J/mol×K | 909.79 | Joback Calculated Property |
| Cp,gas | 376.15 | J/mol×K | 954.74 | Joback Calculated Property |
| Cp,gas | 381.97 | J/mol×K | 999.69 | Joback Calculated Property |
| Cp,gas | 387.42 | J/mol×K | 1044.63 | Joback Calculated Property |
| Cp,gas | 392.58 | J/mol×K | 1089.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitrobenzene, 3-(2,2-dicyanoethenyl).
Sources
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