Chemical Properties of p,«beta»-Dinitrostyrene (CAS 3156-41-0)

InChI

InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H/b6-5+

InChI Key

HABXLWPUIWFTNM-AATRIKPKSA-N

Formula

C8H6N2O4

SMILES

O=[N+]([O-])C=Cc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

194.14

CAS

3156-41-0

Other Names

• 1-Nitro-2-(p-nitrophenyl)ethylene
• 1-Nitro-4-(2-nitroethenyl)benzene
• 2-Nitro-1-(4-nitrophenyl)ethene
• 4-Nitro-«beta»-nitrostyrene
• Benzene, 1-nitro-4-(2-nitroethenyl)-
• Ethene,-1-(4-nitrophenyl)-2-nitro-
• Styrene, p,«beta»-dinitro-
• p,.beta.-Dinitrostyrene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.82; 372.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.71900e+01
Coefficient B			8.44120e-01
Coefficient C			-6.16160e-04
Coefficient D			1.71600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.82	J/mol×K	273.00	Calculated Property
Cp,gas	201.92	J/mol×K	353.78	Calculated Property
Cp,gas	237.35	J/mol×K	434.56	Calculated Property
Cp,gas	267.67	J/mol×K	515.33	Calculated Property
Cp,gas	293.40	J/mol×K	596.11	Calculated Property
Cp,gas	315.09	J/mol×K	676.89	Calculated Property
Cp,gas	333.30	J/mol×K	757.67	Calculated Property
Cp,gas	348.55	J/mol×K	838.44	Calculated Property
Cp,gas	361.39	J/mol×K	919.22	Calculated Property
Cp,gas	372.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p,«beta»-Dinitrostyrene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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