Chemical Properties of Benzene, 2-methyl-1,3-dinitro- (CAS 606-20-2)

Benzene, 2-methyl-1,3-dinitro-

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InChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChI Key
XTRDKALNCIHHNI-UHFFFAOYSA-N
Formula
C7H6N2O4
SMILES
Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
Molecular Weight1
182.13
CAS
606-20-2
Other Names
  • 1-Methyl-2,6-dinitrobenzene
  • 2,6-Dinitrotoluene
  • 2,6-Dnt
  • 2-Methyl-1,3-dinitro-benzene
  • Rcra waste number U106
  • Toluene, 2,6-dinitro-

Physical Properties

Property Value Unit Source
Δcsolid [-3574.00; -3556.80] kJ/mol Show Hide
Δcsolid -3556.80 ± 1.00 kJ/mol NIST
Δcsolid -3570.30 kJ/mol NIST
Δcsolid -3560.90 ± 3.60 kJ/mol NIST
Δcsolid -3574.00 kJ/mol NIST
EA [1.47; 1.55] eV Show Hide
EA 1.47 ± 0.05 eV NIST
EA 1.55 ± 0.05 eV NIST
Δf 172.31 kJ/mol Joback Calculated Property
Δfgas 4.26 kJ/mol Joback Calculated Property
Δfsolid [-55.20; -41.80] kJ/mol Show Hide
Δfsolid -55.20 ± 2.20 kJ/mol NIST
Δfsolid -41.80 kJ/mol NIST
Δfus 29.87 kJ/mol Joback Calculated Property
Δvap 67.96 kJ/mol Joback Calculated Property
log10WS [-3.00; -3.00]   Show Hide
log10WS -3.00 Aq. Sol...
log10WS -3.00 Estimat...
logPoct/wat 1.811 Crippen Calculated Property
McVol 120.570 ml/mol McGowan Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Inp [250.00; 1416.00]   Show Hide
Inp 1416.00 NIST
Inp 1385.00 NIST
Inp 1401.00 NIST
Inp 1415.00 NIST
Inp 1392.00 NIST
Inp 1392.00 NIST
Inp 250.87 NIST
Inp 250.00 NIST
Inp 1385.00 NIST
I [2322.00; 2322.00]   Show Hide
I 2322.00 NIST
I 2322.00 NIST
Tboil 699.88 K Joback Calculated Property
Tc 974.05 K Joback Calculated Property
Tfus [327.00; 339.19] K Show Hide
Tfus 337.65 K Aq. Sol...
Tfus 329.60 ± 0.20 K NIST
Tfus 339.00 ± 3.00 K NIST
Tfus 339.19 ± 0.10 K NIST
Tfus 327.00 ± 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
Cp,solid [217.00; 224.00] J/mol×K [305.00; 305.00] Show Hide
Cp,solid 217.00 J/mol×K 305.00 NIST
Cp,solid 224.00 J/mol×K 305.00 NIST
ΔfusH [16.07; 23.85] kJ/mol [327.50; 340.00] Show Hide
ΔfusH 23.85 kJ/mol 327.50 NIST
ΔfusH 23.85 kJ/mol 327.50 NIST
ΔfusH 19.28 kJ/mol 340.00 NIST
ΔfusH 16.07 kJ/mol 340.00 NIST
ΔsubH [98.30; 99.60] kJ/mol [300.00; 300.00] Show Hide
ΔsubH 99.60 ± 2.30 kJ/mol 300.00 NIST
ΔsubH 98.30 ± 0.80 kJ/mol 300.00 NIST
ΔvapH [56.90; 77.80] kJ/mol [385.50; 488.00] Show Hide
ΔvapH 68.70 kJ/mol 385.50 NIST
ΔvapH 77.80 kJ/mol 431.50 NIST
ΔvapH 56.90 kJ/mol 488.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [429.77; 611.84] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46496e+01
Coefficient B-4.86051e+03
Coefficient C-9.13380e+01
Temperature range, min.429.77
Temperature range, max.611.84
Pvap 1.33 kPa 429.77 Calculated Property
Pvap 3.00 kPa 450.00 Calculated Property
Pvap 6.18 kPa 470.23 Calculated Property
Pvap 11.84 kPa 490.46 Calculated Property
Pvap 21.31 kPa 510.69 Calculated Property
Pvap 36.32 kPa 530.92 Calculated Property
Pvap 59.08 kPa 551.15 Calculated Property
Pvap 92.24 kPa 571.38 Calculated Property
Pvap 138.91 kPa 591.61 Calculated Property
Pvap 202.65 kPa 611.84 Calculated Property
Pvap [3.58e-03; 3634.97] kPa [339.00; 770.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.82485e+02
Coefficient B-2.25355e+04
Coefficient C-3.83779e+01
Coefficient D1.69581e-05
Temperature range, min.339.00
Temperature range, max.770.00
Pvap 3.58e-03 kPa 339.00 Calculated Property
Pvap 0.15 kPa 386.89 Calculated Property
Pvap 2.05 kPa 434.78 Calculated Property
Pvap 13.42 kPa 482.67 Calculated Property
Pvap 54.79 kPa 530.56 Calculated Property
Pvap 164.69 kPa 578.44 Calculated Property
Pvap 406.93 kPa 626.33 Calculated Property
Pvap 891.45 kPa 674.22 Calculated Property
Pvap 1826.20 kPa 722.11 Calculated Property
Pvap 3634.97 kPa 770.00 Calculated Property

Similar Compounds

Trinitrotoluene. 2-Methyl-3-nitroaniline. Benzene, 1-methyl-2-nitro-. 2,4-Dinitro-1,3-dimethyl-benzene. Benzene, 1-methyl-2,4-dinitro-. p-Toluidine, 3,5-dinitro-. Benzene, 1-methyl-2,3-dinitro-. 2,6-Dinitrobenzonitrile. Benzene, 1-bromo-2-methyl-3-nitro-. Benzenamine, 2-methyl-3,5-dinitro-. Benzene, 2,4-dimethyl-1-nitro-. Benzene, 1,2-dimethyl-3-nitro-. 2-Nitrobenzyl bromide. Benzene, 1-chloro-2-methyl-3-nitro-. Benzene, 1-(chloromethyl)-2-nitro-.

Find more compounds similar to Benzene, 2-methyl-1,3-dinitro-.

Sources

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