Chemical Properties of 2-Nitrocumene (CAS 6526-72-3)

2-Nitrocumene

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InChI
InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
InChI Key
BSMKYQUHXQAVKG-UHFFFAOYSA-N
Formula
C9H11NO2
SMILES
CC(C)c1ccccc1[N+](=O)[O-]
Molecular Weight1
165.19
CAS
6526-72-3
Other Names
  • 1-Isopropyl-2-nitrobenzene
  • 1-Nitro-2-isopropylbenzene
  • 2-Isopropylnitrobenzene
  • 2-Nitroisopropylbenzene
  • Benzene, 1-(1-methylethyl)-2-nitro-
  • Cumene, o-nitro-
  • o-Isopropylnitrobenzene
  • o-Nitrocumene
  • o-Nitroisopropylbenzene
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Physical Properties

Property Value Unit Source
Δf 160.79 kJ/mol Joback Calculated Property
Δfgas -20.07 kJ/mol Joback Calculated Property
Δfus 20.56 kJ/mol Joback Calculated Property
Δvap 65.60 ± 0.70 kJ/mol NIST
log10WS -3.31 Crippen Calculated Property
logPoct/wat 2.718 Crippen Calculated Property
McVol 131.330 ml/mol McGowan Calculated Property
Pc 3280.28 kPa Joback Calculated Property
Tboil 588.38 K Joback Calculated Property
Tc 833.34 K Joback Calculated Property
Tfus 358.74 K Joback Calculated Property
Vc 0.507 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [311.23; 378.76] J/mol×K [588.38; 833.34] Show Hide
Cp,gas 311.23 J/mol×K 588.38 Joback Calculated Property
Cp,gas 324.77 J/mol×K 629.21 Joback Calculated Property
Cp,gas 337.33 J/mol×K 670.03 Joback Calculated Property
Cp,gas 348.96 J/mol×K 710.86 Joback Calculated Property
Cp,gas 359.71 J/mol×K 751.69 Joback Calculated Property
Cp,gas 369.63 J/mol×K 792.51 Joback Calculated Property
Cp,gas 378.76 J/mol×K 833.34 Joback Calculated Property
ΔvapH 65.50 ± 0.70 kJ/mol 300.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [398.12; 570.56] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43515e+01
Coefficient B-4.36379e+03
Coefficient C-8.78370e+01
Temperature range, min.398.12
Temperature range, max.570.56
Pvap 1.33 kPa 398.12 Calculated Property
Pvap 3.02 kPa 417.28 Calculated Property
Pvap 6.26 kPa 436.44 Calculated Property
Pvap 12.01 kPa 455.60 Calculated Property
Pvap 21.61 kPa 474.76 Calculated Property
Pvap 36.80 kPa 493.92 Calculated Property
Pvap 59.72 kPa 513.08 Calculated Property
Pvap 92.95 kPa 532.24 Calculated Property
Pvap 139.48 kPa 551.40 Calculated Property
Pvap 202.66 kPa 570.56 Calculated Property

Similar Compounds

Benzene, 1-ethyl-2-nitro-. 1-Nitro-2-propylbenzene. 2,2'-Dinitrobibenzyl. 1-tert-Butyl-2-nitrobenzene. Benzeneethanol, 2-nitro-. o-nitrobutylbenzene. Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-. o-nitrophenylacetonitrile. Benzeneethanol, 2-nitro-, acetate. Dibenzyl, 4,4'-difluoro-2,2'-dinitro-. Succinic acid, ethyl 2-nitrophenethyl ester. Succinic acid, di(2-nitrophenethyl) ester. 2,5-di-tert-Butylnitrobenzene. Benzenamine, 2-(1-methylethyl)-. Benzoic acid, 2-(2-nitrophenyl)ethyl ester.

Find more compounds similar to 2-Nitrocumene.

Sources

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