Chemical Properties of Benzene, 2,4-dimethyl-1-nitro- (CAS 89-87-2)

Benzene, 2,4-dimethyl-1-nitro-

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InChI
InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3
InChI Key
BBUPBICWUURTNP-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
Cc1ccc([N+](=O)[O-])c(C)c1
Molecular Weight1
151.16
CAS
89-87-2
Other Names
  • 1,3-Dimethyl-4-nitrobenzene
  • 1-Nitro-2,4-dimethylbenzene
  • 2,4-Dimethyl-1-nitrobenzene
  • 2,4-Dimethylnitrobenzene
  • 4-Nitro-1,3-dimethylbenzene
  • 4-Nitro-1,3-xylene
  • 4-Nitro-m-xylene
  • NSC 50661
  • benzene, 1,3-dimethyl-4-nitro-
  • m-Xylene, 4-nitro-
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Physical Properties

Property Value Unit Source
PAff 831.00 kJ/mol NIST
BasG 798.50 kJ/mol NIST
EA 0.88 ± 0.05 eV NIST
Δf 145.18 kJ/mol Joback Calculated Property
Δfgas -5.62 kJ/mol Joback Calculated Property
Δfus 21.10 kJ/mol Joback Calculated Property
Δvap 53.59 kJ/mol Joback Calculated Property
IE [9.10; 9.38] eV Show Hide
IE 9.10 eV NIST
IE 9.36 eV NIST
IE 9.38 ± 0.01 eV NIST
log10WS -3.07 Crippen Calculated Property
logPoct/wat 2.212 Crippen Calculated Property
McVol 117.240 ml/mol McGowan Calculated Property
Pc 3572.80 kPa Joback Calculated Property
Tboil 517.20 K NIST
Tc 816.66 K Joback Calculated Property
Tfus [282.68; 282.76] K Show Hide
Tfus 282.68 ± 0.30 K NIST
Tfus 282.76 ± 0.20 K NIST
Vc 0.458 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [264.31; 324.37] J/mol×K [570.92; 816.66] Show Hide
Cp,gas 264.31 J/mol×K 570.92 Joback Calculated Property
Cp,gas 276.23 J/mol×K 611.88 Joback Calculated Property
Cp,gas 287.35 J/mol×K 652.83 Joback Calculated Property
Cp,gas 297.69 J/mol×K 693.79 Joback Calculated Property
Cp,gas 307.28 J/mol×K 734.75 Joback Calculated Property
Cp,gas 316.17 J/mol×K 775.71 Joback Calculated Property
Cp,gas 324.37 J/mol×K 816.66 Joback Calculated Property
ΔvapH [56.70; 57.30] kJ/mol [427.50; 443.00] Show Hide
ΔvapH 57.30 kJ/mol 427.50 NIST
ΔvapH 56.70 kJ/mol 443.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [392.12; 547.36] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52259e+01
Coefficient B-4.57663e+03
Coefficient C-8.57520e+01
Temperature range, min.392.12
Temperature range, max.547.36
Pvap 1.33 kPa 392.12 Calculated Property
Pvap 2.96 kPa 409.37 Calculated Property
Pvap 6.05 kPa 426.62 Calculated Property
Pvap 11.54 kPa 443.87 Calculated Property
Pvap 20.77 kPa 461.12 Calculated Property
Pvap 35.48 kPa 478.36 Calculated Property
Pvap 57.95 kPa 495.61 Calculated Property
Pvap 90.98 kPa 512.86 Calculated Property
Pvap 137.90 kPa 530.11 Calculated Property
Pvap 202.63 kPa 547.36 Calculated Property

Similar Compounds

Benzene, 1-methyl-2-nitro-. 2,4-Dinitro-1,3-dimethyl-benzene. 4,6-Dinitro-1,3-dimethyl-benzene. Benzene, 1,3,5-trimethyl-2-nitro-. Benzene, 1-methyl-2,4-dinitro-. Benzene, 2-methyl-1,4-dinitro-. 3-Methyl-4-nitrobenzoic acid. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Benzene, 1,3-dimethyl-2-nitro-. Benzene, 4-fluoro-2-methyl-1-nitro-. Benzene, 1,4-dimethyl-2-nitro-. Benzoic acid, 3-methyl-4-nitro-, methyl ester. Toluene, 4-iodo-2-nitro. Benzenamine, 3-methyl-4-nitro-. Benzene, 1,2-dimethyl-3-nitro-.

Find more compounds similar to Benzene, 2,4-dimethyl-1-nitro-.

Mixtures

Sources

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