Chemical Properties of Benzene, 4-methyl-1,2-dinitro- (CAS 610-39-9)

Benzene, 4-methyl-1,2-dinitro-

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InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChI Key
INYDMNPNDHRJQJ-UHFFFAOYSA-N
Formula
C7H6N2O4
SMILES
Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
Molecular Weight1
182.13
CAS
610-39-9
Other Names
  • 1-METHYL-3,4-DINTRO-BENZENE
  • 1-methyl-3,4-dinitrobenzene
  • 3,4-DINITROTOLUENE
  • 3,4-DNT
  • Toluene, 3,4-dinitro-
  • benzene, 1-methyl-3,4-dinitro-
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Physical Properties

Property Value Unit Source
Δcsolid -3598.00 kJ/mol NIST
EA 1.77 ± 0.05 eV NIST
Δf 172.31 kJ/mol Joback Calculated Property
Δfgas 4.26 kJ/mol Joback Calculated Property
Δfus 29.87 kJ/mol Joback Calculated Property
Δvap 67.96 kJ/mol Joback Calculated Property
log10WS -3.25 Crippen Calculated Property
logPoct/wat 1.811 Crippen Calculated Property
McVol 120.570 ml/mol McGowan Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Inp 1574.00 NIST
Tboil 699.88 K Joback Calculated Property
Tc 974.05 K Joback Calculated Property
Tfus 329.00 ± 0.10 K NIST
Vc 0.483 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [299.55; 345.36] J/mol×K [699.88; 974.05] Show Hide
Cp,gas 299.55 J/mol×K 699.88 Joback Calculated Property
Cp,gas 309.27 J/mol×K 745.58 Joback Calculated Property
Cp,gas 318.09 J/mol×K 791.27 Joback Calculated Property
Cp,gas 326.05 J/mol×K 836.97 Joback Calculated Property
Cp,gas 333.22 J/mol×K 882.66 Joback Calculated Property
Cp,gas 339.64 J/mol×K 928.36 Joback Calculated Property
Cp,gas 345.36 J/mol×K 974.05 Joback Calculated Property
ΔfusH [18.83; 18.83] kJ/mol [329.50; 329.50] Show Hide
ΔfusH 18.83 kJ/mol 329.50 NIST
ΔfusH 18.83 kJ/mol 329.50 NIST
ΔsubH 99.60 ± 1.90 kJ/mol 292.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [468.13; 622.16] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.73159e+01
Coefficient B-6.26733e+03
Coefficient C-1.00075e+02
Temperature range, min.468.13
Temperature range, max.622.16
Pvap 1.33 kPa 468.13 Calculated Property
Pvap 2.84 kPa 485.24 Calculated Property
Pvap 5.68 kPa 502.36 Calculated Property
Pvap 10.72 kPa 519.47 Calculated Property
Pvap 19.26 kPa 536.59 Calculated Property
Pvap 33.11 kPa 553.70 Calculated Property
Pvap 54.72 kPa 570.82 Calculated Property
Pvap 87.29 kPa 587.93 Calculated Property
Pvap 134.92 kPa 605.05 Calculated Property
Pvap 202.66 kPa 622.16 Calculated Property
Pvap [1.41e-04; 3331.85] kPa [332.00; 842.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.22011e+02
Coefficient B-1.56000e+04
Coefficient C-1.45153e+01
Coefficient D3.38490e-06
Temperature range, min.332.00
Temperature range, max.842.00
Pvap 1.41e-04 kPa 332.00 Calculated Property
Pvap 0.02 kPa 388.67 Calculated Property
Pvap 0.42 kPa 445.33 Calculated Property
Pvap 4.59 kPa 502.00 Calculated Property
Pvap 27.83 kPa 558.67 Calculated Property
Pvap 112.23 kPa 615.33 Calculated Property
Pvap 339.21 kPa 672.00 Calculated Property
Pvap 833.37 kPa 728.67 Calculated Property
Pvap 1760.91 kPa 785.33 Calculated Property
Pvap 3331.85 kPa 842.00 Calculated Property

Similar Compounds

4-Methyl-2-nitrophenyl isothiocyanate. Benzenamine, 4-methyl-2-nitro-. Benzene, 1-methyl-3-nitro-. Benzene, 1-methyl-2,3-dinitro-. 3-Nitrobenzyl radical. Benzene, 1-methyl-2,4,5-trinitro-. Benzene, 1,2-dimethyl-4-nitro-. Benzene, 1-methyl-2,4-dinitro-. Benzene, 1-(chloromethyl)-3-nitro-. Benzene, 1,4-dimethyl-2-nitro-. 2-Methyl-6-nitroaniline. 2,3,5-Trinitrotoluene. Benzene, 1-(bromomethyl)-3-nitro-. 4-Bromo-3-nitrotoluene. Benzene, 1-methyl-3,5-dinitro-.

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

Mixtures

Sources

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