Chemical Properties of 5-Nitro-m-xylene (CAS 99-12-7)

5-Nitro-m-xylene

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InChI
InChI=1S/C8H9NO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3
InChI Key
BYFNZOKBMZKTSC-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
Cc1cc(C)cc([N+](=O)[O-])c1
Molecular Weight1
151.16
CAS
99-12-7
Other Names
  • 1,3-Dimethyl-5-nitrobenzene
  • 3,5-Dimethyl-1-nitrobenzene
  • 3,5-Dimethylnitrobenzene
  • Benzene, 1,3-dimethyl-5-nitro-
  • m-Xylene, 5-nitro-
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Physical Properties

Property Value Unit Source
EA 1.21 ± 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
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 570.92 K Joback Calculated Property
Tc 816.66 K Joback Calculated Property
Tfus 374.99 K Joback Calculated Property
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

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 546.20 K 98.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [413.72; 579.56] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50196e+01
Coefficient B-4.72104e+03
Coefficient C-9.32580e+01
Temperature range, min.413.72
Temperature range, max.579.56
Pvap 1.33 kPa 413.72 Calculated Property
Pvap 2.97 kPa 432.15 Calculated Property
Pvap 6.09 kPa 450.57 Calculated Property
Pvap 11.65 kPa 469.00 Calculated Property
Pvap 20.95 kPa 487.43 Calculated Property
Pvap 35.78 kPa 505.85 Calculated Property
Pvap 58.35 kPa 524.28 Calculated Property
Pvap 91.42 kPa 542.71 Calculated Property
Pvap 138.27 kPa 561.13 Calculated Property
Pvap 202.66 kPa 579.56 Calculated Property

Similar Compounds

Benzene, 1-methyl-3,5-dinitro-. Benzene, 1-methyl-3-nitro-. 3-Nitrobenzyl radical. Benzene, 1,2-dimethyl-4-nitro-. Benzene, 1-(chloromethyl)-3-nitro-. Benzene, 1-(bromomethyl)-3-nitro-. Phenol, 2,6-dimethyl-4-nitro-. 2,4-Dimethyl-6-nitroaniline. Benzene, 1,4-dimethyl-2-nitro-. Benzene, 4-methyl-1,2-dinitro-. Benzene, 2-chloro-5-methyl-1,3-dinitro-. Benzenemethanol, 3-nitro-. Benzene, 1,2-dimethyl-3-nitro-. Benzene, 2-methyl-1,4-dinitro-. Benzeneacetonitrile, 3-nitro-.

Find more compounds similar to 5-Nitro-m-xylene.

Sources

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