Chemical Properties of Benzene, 1-methyl-3,5-dinitro- (CAS 618-85-9)

Benzene, 1-methyl-3,5-dinitro-

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InChI
InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
InChI Key
RUIFULUFLANOCI-UHFFFAOYSA-N
Formula
C7H6N2O4
SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
182.13
CAS
618-85-9
Other Names
  • 1-METHYL-3,5-DINTRO-BENZENE
  • 1-Methyl-3,5-dinitrobenzene
  • 3,5-DINITROTOLUENE
  • 3,5-DNT
  • Toluene, 3,5-dinitro-
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Physical Properties

Property Value Unit Source
Δcsolid -3569.00 kJ/mol 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
Tboil 699.88 K Joback Calculated Property
Tc 974.05 K Joback Calculated Property
Tfus 507.33 K Joback Calculated Property
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
ΔvapH 62.60 kJ/mol 518.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [440.63; 625.80] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.66884e+01
Coefficient B-6.87757e+03
Coefficient C-2.12820e+01
Temperature range, min.440.63
Temperature range, max.625.80
Pvap 1.33 kPa 440.63 Calculated Property
Pvap 2.87 kPa 461.20 Calculated Property
Pvap 5.77 kPa 481.78 Calculated Property
Pvap 10.94 kPa 502.35 Calculated Property
Pvap 19.66 kPa 522.93 Calculated Property
Pvap 33.73 kPa 543.50 Calculated Property
Pvap 55.57 kPa 564.08 Calculated Property
Pvap 88.27 kPa 584.65 Calculated Property
Pvap 135.71 kPa 605.23 Calculated Property
Pvap 202.64 kPa 625.80 Calculated Property
Pvap [0.04; 3391.98] kPa [365.65; 814.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A4.65523e+01
Coefficient B-9.30483e+03
Coefficient C-4.17683e+00
Coefficient D1.51050e-06
Temperature range, min.365.65
Temperature range, max.814.00
Pvap 0.04 kPa 365.65 Calculated Property
Pvap 0.46 kPa 415.47 Calculated Property
Pvap 3.40 kPa 465.28 Calculated Property
Pvap 16.56 kPa 515.10 Calculated Property
Pvap 60.09 kPa 564.92 Calculated Property
Pvap 175.30 kPa 614.73 Calculated Property
Pvap 433.53 kPa 664.55 Calculated Property
Pvap 944.08 kPa 714.37 Calculated Property
Pvap 1861.27 kPa 764.18 Calculated Property
Pvap 3391.98 kPa 814.00 Calculated Property

Similar Compounds

5-Nitro-m-xylene. Benzene, 1-methyl-3-nitro-. 3-Nitrobenzyl radical. Benzene, 2-chloro-5-methyl-1,3-dinitro-. Benzonitrile, 3,5-dinitro-. 3,5-Dinitrobenzotrifluoride. Diphenylmethane, 2,4-dinitro. 2,3,5-Trinitrotoluene. Benzene, 4-methyl-1,2-dinitro-. Benzene, 1-(chloromethyl)-3-nitro-. Phenol, 4-methyl-2,6-dinitro-. 3,5-Dinitrobenzyl alcohol, chlorodifluoroacetate. Benzene, 1,2-dimethyl-4-nitro-. Benzenemethanol, 3-nitro-. Benzoyl chloride, 3,5-dinitro-.

Find more compounds similar to Benzene, 1-methyl-3,5-dinitro-.

Sources

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