Chemical Properties of Benzene, 1,3-dinitro- (CAS 99-65-0)

Benzene, 1,3-dinitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChI Key
WDCYWAQPCXBPJA-UHFFFAOYSA-N
Formula
C6H4N2O4
SMILES
O=[N+]([O-])c1cccc([N+](=O)[O-])c1
Molecular Weight1
168.11
CAS
99-65-0
Other Names
  • 1,3-Dinitrobenzene
  • 1,3-Dinitrobenzol
  • 2,4-Dinitrobenzene
  • Benzene, m-dinitro-
  • Dwunitrobenzen
  • NSC 7189
  • m-Dinitrobenzene
  • meta-Dinitrobenzene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2908.00 kJ/mol NIST
Δcsolid [-2931.00; -2896.20] kJ/mol Show Hide
Δcsolid -2905.00 ± 0.40 kJ/mol NIST
Δcsolid -2896.20 ± 2.90 kJ/mol NIST
Δcsolid -2911.60 kJ/mol NIST
Δcsolid -2913.49 kJ/mol NIST
Δcsolid -2931.00 kJ/mol NIST
EA [0.07; 1.66] eV Show Hide
EA 1.66 ± 0.10 eV NIST
EA 0.07 eV NIST
EA 1.65 ± 0.05 eV NIST
EA 1.65 ± 0.05 eV NIST
Δf 173.52 kJ/mol Joback Calculated Property
Δfgas 36.37 kJ/mol Joback Calculated Property
Δfliquid -36.00 kJ/mol NIST
Δfsolid -27.00 ± 0.40 kJ/mol NIST
Δfsolid -19.20 kJ/mol NIST
Δfus 27.67 kJ/mol Joback Calculated Property
Δsub 87.00 ± 0.80 kJ/mol NIST
Δvap 65.07 kJ/mol Joback Calculated Property
IE [10.40; 10.60] eV Show Hide
IE 10.40 eV NIST
IE 10.43 ± 0.02 eV NIST
IE 10.60 ± 0.10 eV NIST
IE 10.40 eV NIST
logPoct/wat 1.50 Crippen Calculated Property
Pc 4730.11 kPa Joback Calculated Property
Tboil 570.20 K NIST
Tc 952.61 K Joback Calculated Property
Tfus [360.00; 363.23] K Show Hide
Tfus Outlier 360.00 ± 0.10 K NIST
Tfus 363.23 ± 0.20 K NIST
Tfus 362.00 ± 2.00 K NIST
Tfus 362.40 ± 1.50 K NIST
Tfus 362.65 ± 1.50 K NIST
Tfus 363.00 ± 1.50 K NIST
Tfus 362.65 ± 0.30 K NIST
Tfus 363.23 ± 0.15 K NIST
Tfus 363.00 ± 2.50 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 254.14 J/mol×K 672.02 Joback Calculated Property
Cp,solid 188.30 J/mol×K 297.9 NIST
Cp,solid 180.30 J/mol×K 298.0 NIST
Cp,solid 197.50 J/mol×K 298.15 NIST
ΔfusH [17.35; 19.68] kJ/mol [360.40; 363.23] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 19.68 kJ/mol 360.4 NIST
ΔfusH 17.36 kJ/mol 363.2 NIST
ΔfusH 17.36 kJ/mol 363.2 NIST
ΔfusH 17.36 kJ/mol 363.2 NIST
ΔfusH 17.35 kJ/mol 363.23 NIST
ΔsubH 81.10 ± 1.70 kJ/mol 322.0 NIST
ΔsubH 83.00 ± 2.00 kJ/mol 323.0 NIST
ΔsubH 76.10 kJ/mol 345.5 NIST
ΔvapH 96.70 kJ/mol 357.5 NIST
ΔfusS 47.80 J/mol×K 363.2 NIST
ΔfusS 47.80 J/mol×K 363.23 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-NO2 2
=CH- (ring) 4

Similar Compounds

Benzenamine, 3,5-dinitro-. 1,3,5-Trinitrobenzene. m-Nitroaniline. 1,3-Benzenediamine, 5-nitro-. Benzene, 1-methyl-3,5-dinitro-. Benzenamine, 2,6-dinitro-. Benzenamine, 2,4-dinitro-. 3,5-Dinitroiodobenzene. 1,4-Benzenediamine, 2-nitro-. Benzene, 1-isothiocyanato-3-nitro-. Benzenamine, 2-methyl-5-nitro-. Benzenamine, 2,4,6-trinitro-. Benzenamine, 2-chloro-5-nitro-. Benzenamine, N,N-dimethyl-3-nitro-. Benzene, nitro-.

Find more compounds similar to Benzene, 1,3-dinitro-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.