Chemical Properties of Benzene, 1-ethyl-4-nitro- (CAS 100-12-9)

Benzene, 1-ethyl-4-nitro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChI Key
RESTWAHJFMZUIZ-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
CCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
151.16
CAS
100-12-9
Other Names
  • 1-Ethyl-4-nitrobenzene
  • 4-Ethylnitrobenzene
  • 4-Nitroethylbenzene
  • p-Ethylnitrobenzene
  • p-Nitroethylbenzene
  • p-Nitrophenylethane
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcsolid -4379.02 kJ/mol NIST
Δf 154.81 kJ/mol Joback Calculated Property
Δfgas 5.85 kJ/mol Joback Calculated Property
Δfsolid -55.31 kJ/mol NIST
Δfus 21.49 kJ/mol Joback Calculated Property
Δvap 52.93 kJ/mol Joback Calculated Property
IE 9.71 ± 0.03 eV NIST
log10WS -2.93 Crippen Calculated Property
logPoct/wat 2.157 Crippen Calculated Property
McVol 117.240 ml/mol McGowan Calculated Property
Pc 3637.73 kPa Joback Calculated Property
I [2057.00; 2057.00]   Show Hide
I 2057.00 NIST
I 2057.00 NIST
Tboil 518.70 K NIST
Tc 810.58 K Joback Calculated Property
Tfus 362.47 K Joback Calculated Property
Vc 0.458 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [265.21; 326.32] J/mol×K [565.94; 810.58] Show Hide
Cp,gas 265.21 J/mol×K 565.94 Joback Calculated Property
Cp,gas 277.45 J/mol×K 606.71 Joback Calculated Property
Cp,gas 288.81 J/mol×K 647.49 Joback Calculated Property
Cp,gas 299.33 J/mol×K 688.26 Joback Calculated Property
Cp,gas 309.07 J/mol×K 729.03 Joback Calculated Property
Cp,gas 318.05 J/mol×K 769.80 Joback Calculated Property
Cp,gas 326.32 J/mol×K 810.58 Joback Calculated Property
ΔvapH 59.40 kJ/mol 393.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [390.86; 548.36] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.64817e+01
Coefficient B-5.67106e+03
Coefficient C-4.06670e+01
Temperature range, min.390.86
Temperature range, max.548.36
Pvap 1.33 kPa 390.86 Calculated Property
Pvap 2.88 kPa 408.36 Calculated Property
Pvap 5.81 kPa 425.86 Calculated Property
Pvap 11.01 kPa 443.36 Calculated Property
Pvap 19.79 kPa 460.86 Calculated Property
Pvap 33.95 kPa 478.36 Calculated Property
Pvap 55.87 kPa 495.86 Calculated Property
Pvap 88.62 kPa 513.36 Calculated Property
Pvap 135.99 kPa 530.86 Calculated Property
Pvap 202.63 kPa 548.36 Calculated Property

Similar Compounds

Benzene, 1-(2-bromoethyl)-4-nitro-. 4,4'-Dinitrobibenzyl. Benzeneacetonitrile, 4-nitro-. Benzene, 1-nitro-4-(2-phenylethyl)-. 1-Nitro-4-propylbenzene. Benzeneethanol, 4-nitro-. Benzene, 1-(1-methylethyl)-4-nitro-. 4-Ethylphenyl isothiocyanate. Benzene, 1-nitro-4-(2,2,2-trichloroethyl). 1-Ethyl-3-nitrobenzene. 4-Ethylphenyl isocyanate. Benzenamine, 4-ethyl-. Benzene, 1-butyl-4-nitro-. Methyl 4-nitrophenylacetate. 4-Nitrophenylacetone.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.