Chemical Properties of Butyl 4-nitrophenyl ether (CAS 7244-78-2)

Butyl 4-nitrophenyl ether

InChI
InChI=1S/C10H13NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChI Key
XCCDVVZINDJESR-UHFFFAOYSA-N
Formula
C10H13NO3
SMILES
CCCCOc1ccc([N+](=O)[O-])cc1
Molecular Weight1
195.22
CAS
7244-78-2
Other Names
  • p-Nitrophenyl butyl ether
  • n-Butyl 4-nitrophenyl ether
  • p-Butoxynitrobenzene
  • 4-n-Butoxynitrobenzene
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Physical Properties

Property Value Unit Source
ΔfH°gas -167.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.86 kJ/mol Joback Calculated Property
ΔvapH° 76.08 kJ/mol Relay (1.0) Calculated Property
IE 8.97 eV Relay (1.0) Calculated Property
log10WS -3.89 Relay (1.0) Calculated Property
logPoct/wat 2.774 Crippen Calculated Property
McVol 151.290 ml/mol McGowan Calculated Property
Tboil 562.98 K Relay (1.0) Calculated Property
Tfus 305.93 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 447.50 ± 0.50 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [205.49; 478.40] 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 A5.18300e+00
Coefficient B8.51580e-01
Coefficient C-4.51760e-04
Coefficient D7.34000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 205.49 J/mol×K 273.00 Calculated Property
Cp,gas 253.16 J/mol×K 353.78 Calculated Property
Cp,gas 295.96 J/mol×K 434.56 Calculated Property
Cp,gas 334.10 J/mol×K 515.33 Calculated Property
Cp,gas 367.84 J/mol×K 596.11 Calculated Property
Cp,gas 397.39 J/mol×K 676.89 Calculated Property
Cp,gas 422.98 J/mol×K 757.67 Calculated Property
Cp,gas 444.87 J/mol×K 838.44 Calculated Property
Cp,gas 463.26 J/mol×K 919.22 Calculated Property
Cp,gas 478.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

p-Pentyloxynitrobenzene. P-HEXYLOXYNITROBENZENE. Dodecyl 4-nitrophenyl ether. p-Nitrophenyl decyl ether. Heptyl 4-nitrophenyl ether. p-Nitrophenyloctyl ether. p-Nitrophenyl nonyl ether. p-Nitrophenyl hexadecyl ether. Methyl 4-(p-nitrophenoxy)butyrate. Diazene, bis(4-butoxyphenyl)-, 1-oxide. Diazene, bis[4-(pentyloxy)phenyl]-, 1-oxide. Benzenamine, 4-butoxy-. Butyric acid, 4-nitrophenyl ester. 4,4'-Bis(hexyloxy)azoxybenzene. 4,4'-DIHEPTYLOXYAZOXYBENZENE.

Find more compounds similar to Butyl 4-nitrophenyl ether.

Sources

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