Chemical Properties of 3,4-Methylenedioxy-«beta»-nitrostyrene (CAS 1485-00-3)

InChI

InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+

InChI Key

KFLWBZPSJQPRDD-ONEGZZNKSA-N

Formula

C9H7NO4

SMILES

O=[N+]([O-])C=Cc1ccc2c(c1)OCO2

Molecular Weight¹

193.16

CAS

1485-00-3

Other Names

• Styrene, 3,4-methylenedioxy-«beta»-nitro-
• 1,3-Benzodioxole, 5-(2-nitroethenyl)-
• 1,3-Benzodioxole, 5-nitrovinyl-
• 1-(2-Nitrovinyl)-3,4-methylenedioxybenzene
• 3,4-(Methylenedioxy)-beta-nitrostyrene
• 3,4-Methylenedioxy-1-(2-nitrovinyl)benzene
• 5-(2-Nitrovinyl)-1,3-benzodioxole
• Styrene, 3,4-(methylenedioxy)-b-nitro-
• Ethene, 1-(3,4-methylendioxyphenyl)-2-nitro-
• Benzene, 2-nitroethenyl, 3,4-methylenedioxy
• NSC 10120
• NSC 105303
• NSC 170724

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.98; 375.13]	J/mol×K	[663.27; 925.05]
Cp,gas	322.98	J/mol×K	663.27	Joback Calculated Property
Cp,gas	333.59	J/mol×K	706.90	Joback Calculated Property
Cp,gas	343.26	J/mol×K	750.53	Joback Calculated Property
Cp,gas	352.13	J/mol×K	794.16	Joback Calculated Property
Cp,gas	360.32	J/mol×K	837.79	Joback Calculated Property
Cp,gas	367.94	J/mol×K	881.42	Joback Calculated Property
Cp,gas	375.13	J/mol×K	925.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Methylenedioxy-«beta»-nitrostyrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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