Chemical Properties of Benzene, 1-methoxy-3-nitro- (CAS 555-03-3)

Benzene, 1-methoxy-3-nitro-

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InChI
InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChI Key
WGYFINWERLNPHR-UHFFFAOYSA-N
Formula
C7H7NO3
SMILES
COc1cccc([N+](=O)[O-])c1
Molecular Weight1
153.14
CAS
555-03-3
Other Names
  • 1-Methoxy-3-nitrobenzene
  • 3-Methoxynitrobenzene
  • 3-Nitroanisole
  • Anisole, m-nitro-
  • Methyl m-nitrophenyl ether
  • NSC 4956
  • m-Methoxynitrobenzene
  • m-Nitroanisole
Sources

Physical Properties

Property Value Unit Source
EA 1.04 ± 0.10 eV NIST
Δf 41.39 kJ/mol Joback Calculated Property
Δfgas -105.73 kJ/mol Joback Calculated Property
Δfus 20.09 kJ/mol Joback Calculated Property
Δvap 53.11 kJ/mol Joback Calculated Property
IE 8.70 eV NIST
IE 9.10 ± 0.10 eV NIST
IE 9.01 eV NIST
logPoct/wat 1.60 Crippen Calculated Property
Pc 4010.84 kPa Joback Calculated Property
Tboil 531.20 K NIST
Tboil 395.20 K NIST
Tc 811.60 K Joback Calculated Property
Tfus 311.15 ± 1.50 K NIST
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 242.84 J/mol×K 565.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 2
-NO2 1
-CH3 1
=CH- (ring) 4

Similar Compounds

1-Ethoxy-3-nitrobenzene. 4-Nitroguaiacol. Benzenamine, 2-methoxy-4-nitro-. Phenol, 3-nitro-. Phenol, 4-methoxy-2-nitro-. Acetic acid, 3-nitrophenyl ester. Benzene, 1,2-dimethoxy-4-nitro-. Benzenamine, 4-methoxy-2-nitro-. 3-Hydroxy-4-methoxynitrobenzene. 4-Ethoxy-2-nitroaniline. 4-Nitrocatechol. 1,3-Benzodioxole, 5-nitro-. Benzene, 4-methoxy-1-methyl-2-nitro-. 4-Bromo-3-nitroanisole. 1,4-Benzodioxin, 2,3-dihydro-6-nitro-.

Find more compounds similar to Benzene, 1-methoxy-3-nitro-.

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