Chemical Properties of P-HEXYLOXYNITROBENZENE

P-HEXYLOXYNITROBENZENE

InChI
InChI=1S/C12H17NO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3
InChI Key
VLMYJULPWGTTAV-UHFFFAOYSA-N
Formula
C12H17NO3
SMILES
CCCCCCOc1ccc([N+](=O)[O-])cc1
Molecular Weight1
223.27
Other Names
  • 1-(Hexyloxy)-4-nitrobenzene
  • Benzene, 1-(hexyloxy)-4-nitro-
  • p-Nitrophenyl hexyl ether
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Physical Properties

Property Value Unit Source
ΔfH°gas -208.64 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.04 kJ/mol Joback Calculated Property
ΔvapH° 82.54 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
log10WS -4.83 Relay (1.0) Calculated Property
logPoct/wat 3.554 Crippen Calculated Property
McVol 179.470 ml/mol McGowan Calculated Property
Tboil 583.76 K Relay (1.0) Calculated Property
Tfus 306.25 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 476.50 ± 0.50 K 2.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [247.92; 581.58] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.36500e+00
Coefficient B1.04158e+00
Coefficient C-5.60560e-04
Coefficient D9.72000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 247.92 J/mol×K 273.00 Calculated Property
Cp,gas 306.00 J/mol×K 353.78 Calculated Property
Cp,gas 358.11 J/mol×K 434.56 Calculated Property
Cp,gas 404.56 J/mol×K 515.33 Calculated Property
Cp,gas 445.66 J/mol×K 596.11 Calculated Property
Cp,gas 481.71 J/mol×K 676.89 Calculated Property
Cp,gas 513.02 J/mol×K 757.67 Calculated Property
Cp,gas 539.90 J/mol×K 838.44 Calculated Property
Cp,gas 562.65 J/mol×K 919.22 Calculated Property
Cp,gas 581.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dodecyl 4-nitrophenyl ether. p-Nitrophenyl hexadecyl ether. p-Nitrophenyl decyl ether. Heptyl 4-nitrophenyl ether. p-Nitrophenyloctyl ether. p-Nitrophenyl nonyl ether. p-Pentyloxynitrobenzene. Butyl 4-nitrophenyl ether. 4,4'-Bis(hexyloxy)azoxybenzene. 4,4'-Bis(octyloxy)azoxybenzene. Diazene, bis[4-(decyloxy)phenyl]-, 1-oxide. 4,4'-DIHEPTYLOXYAZOXYBENZENE. Diazene, bis[4-(pentyloxy)phenyl]-, 1-oxide. Benzenamine, 4-(hexyloxy)-. p-Hexadecyloxyaniline.

Find more compounds similar to P-HEXYLOXYNITROBENZENE.

Sources

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