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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

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)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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