Chemical Properties of Benzene, 1-methoxy-2,4-dinitro-

Benzene, 1-methoxy-2,4-dinitro-

InChI
InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
InChI Key
CVYZVNVPQRKDLW-UHFFFAOYSA-N
Formula
C7H6N2O5
SMILES
COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
Molecular Weight1
198.13
Other Names
  • 1-Methoxy-2,4-dinitrobenzene
  • 2,4-Dinitro-1-methoxy-benzene
  • 2,4-Dinitroanisol
  • 2,4-Dinitroanisole
  • 2,4-Dinitrophenyl methyl ether
  • 2,4-Nitroanisole
  • Anisole, 2,4-dinitro-
  • Dinitroanisole
  • NSC 8733
  • «alpha»-Dinitroanisole
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°solid [-3425.40; -3425.40] kJ/mol Show Hide
ΔcH°solid -3425.40 ± 3.40 kJ/mol NIST
ΔcH°solid -3425.40 ± 3.40 kJ/mol NIST
ΔfH°gas -61.26 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.06 kJ/mol Joback Calculated Property
ΔvapH° 78.28 kJ/mol Relay (1.0) Calculated Property
IE 9.30 eV NIST
log10WS -2.92 Relay (1.0) Calculated Property
logPoct/wat 1.512 Crippen Calculated Property
McVol 126.440 ml/mol McGowan Calculated Property
Tboil 556.63 K Relay (1.0) Calculated Property
Tfus [359.90; 364.15] K Show Hide
Tfus 364.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 359.90 ± 1.50 K NIST

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 [171.57; 366.82] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.77000e+01
Coefficient B6.06440e-01
Coefficient C-2.99920e-04
Coefficient D3.26000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 171.57 J/mol×K 273.00 Calculated Property
Cp,gas 206.15 J/mol×K 353.78 Calculated Property
Cp,gas 237.27 J/mol×K 434.56 Calculated Property
Cp,gas 265.03 J/mol×K 515.33 Calculated Property
Cp,gas 289.54 J/mol×K 596.11 Calculated Property
Cp,gas 310.89 J/mol×K 676.89 Calculated Property
Cp,gas 329.19 J/mol×K 757.67 Calculated Property
Cp,gas 344.54 J/mol×K 838.44 Calculated Property
Cp,gas 357.05 J/mol×K 919.22 Calculated Property
Cp,gas 366.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1-ethoxy-2,4-dinitro-. p-Anisidine, 3-nitro-. 2-Methoxy-1,3,5-trinitrobenzene. 2-Nitroanisole. 2,4-DINITROPHENYL ACETATE. 2-Methoxy-5-nitrophenylisothiocyanate. Benzenamine, 2-methoxy-5-nitro-. 1,4-Dimethoxy-2-nitrobenzene. Benzene, 1-ethoxy-2-nitro-. 2-Amino-4-nitrophenol, N,N-dimethyl-, methyl ether. Phenol, 2,4-dinitro-. 2-(2-Nitrophenoxy)acetic acid. 2-Ethoxy-5-nitroaniline. 2-Amino-4-nitrophenol, N,O-bis(methyl)-. Phenetole, 4-chloro-2-nitro.

Find more compounds similar to Benzene, 1-methoxy-2,4-dinitro-.

Mixtures

Sources

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.
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.
These property values are available through the Cheméo API. A free account gives you an access key.