Chemical Properties of Benzene, 1-chloro-2,4-dinitro- (CAS 97-00-7)

Benzene, 1-chloro-2,4-dinitro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChI Key
VYZAHLCBVHPDDF-UHFFFAOYSA-N
Formula
C6H3ClN2O4
SMILES
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
Molecular Weight1
202.55
CAS
97-00-7
Other Names
  • 1,3-DINITRO-4-CHLOROBENZENE
  • 1-CHLORO-2,4-DINITROBENZENE
  • 1-Chloor-2,4-dinitrobenzeen
  • 1-Chlor-2,4-dinitrobenzene
  • 1-Chloro-2,4-dinitrobenzol
  • 1-Cloro-2,4-dinitrobenzene
  • 2,4-Dinitro-1-chlorobenzene
  • 2,4-Dinitrochlorobenzene
  • 2,4-Dinitrophenyl chloride
  • 4-Chloro-1,3-dinitrobenzene
  • 6-Chloro-1,3-dinitrobenzene
  • CDNB
  • DINITROCHLOROBENZENE
  • DNCB
  • Dinitrochlorobenzol
  • NSC 6292
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
Δf 151.96 kJ/mol Joback Calculated Property
Δfgas 9.16 kJ/mol Joback Calculated Property
Δfus 31.48 kJ/mol Joback Calculated Property
Δvap 70.12 kJ/mol Joback Calculated Property
log10WS -3.46 Crippen Calculated Property
logPoct/wat 2.156 Crippen Calculated Property
McVol 118.720 ml/mol McGowan Calculated Property
Pc 4409.10 kPa Joback Calculated Property
I [2526.00; 2545.00]   Show
I 2526.00 NIST
I 2526.00 NIST
I 2545.00 NIST
Tboil 588.20 K NIST
Tc 997.45 K Joback Calculated Property
Tfus 525.98 K Joback Calculated Property
Vc 0.476 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [269.81; 304.79] J/mol×K [714.43; 997.45] Show
T(K)
Ideal gas heat capacity (J/mol×K)
270
275
280
285
290
295
300
305
800
900
1000
Cp,gas 269.81 J/mol×K 714.43 Joback Calculated Property
Cp,gas 277.51 J/mol×K 761.60 Joback Calculated Property
Cp,gas 284.39 J/mol×K 808.77 Joback Calculated Property
Cp,gas 290.51 J/mol×K 855.94 Joback Calculated Property
Cp,gas 295.91 J/mol×K 903.11 Joback Calculated Property
Cp,gas 300.65 J/mol×K 950.28 Joback Calculated Property
Cp,gas 304.79 J/mol×K 997.45 Joback Calculated Property
ΔfusH [20.17; 20.20] kJ/mol [325.20; 325.20] Show
ΔfusH 20.17 kJ/mol 325.20 NIST
ΔfusH 20.20 kJ/mol 325.20 NIST
ΔvapH 80.50 kJ/mol 510.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [451.48; 620.27] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.58470e+01
Coefficient B-5.50759e+03
Coefficient C-9.75060e+01
Temperature range, min.451.48
Temperature range, max.620.27
T(K)
Vapor pressure (kPa)
0
50
100
150
200
450
500
550
600
Pvap 1.33 kPa 451.48 Calculated Property
Pvap 2.92 kPa 470.23 Calculated Property
Pvap 5.92 kPa 488.99 Calculated Property
Pvap 11.26 kPa 507.74 Calculated Property
Pvap 20.26 kPa 526.50 Calculated Property
Pvap 34.68 kPa 545.25 Calculated Property
Pvap 56.87 kPa 564.01 Calculated Property
Pvap 89.76 kPa 582.76 Calculated Property
Pvap 136.92 kPa 601.52 Calculated Property
Pvap 202.65 kPa 620.27 Calculated Property
Pvap [2.70e-04; 3422.23] kPa [326.55; 813.77] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.21700e+02
Coefficient B-1.50568e+04
Coefficient C-1.45454e+01
Coefficient D3.65312e-06
Temperature range, min.326.55
Temperature range, max.813.77
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
3500
400
600
800
Pvap 2.70e-04 kPa 326.55 Calculated Property
Pvap 0.02 kPa 380.69 Calculated Property
Pvap 0.55 kPa 434.82 Calculated Property
Pvap 5.53 kPa 488.96 Calculated Property
Pvap 31.72 kPa 543.09 Calculated Property
Pvap 123.13 kPa 597.23 Calculated Property
Pvap 362.65 kPa 651.36 Calculated Property
Pvap 875.05 kPa 705.50 Calculated Property
Pvap 1825.50 kPa 759.63 Calculated Property
Pvap 3422.23 kPa 813.77 Calculated Property

Similar Compounds

1,3-Dichloro-4,6-dinitrobenzene. Benzene, 2-chloro-1,3,5-trinitro-. 4-chloro-3-nitroaniline. Benzenamine, 4-chloro-3-nitro-. 4-Chloro-3-nitrophenyl isothiocyanate. 1-Chloro-2,6-dinitrobenzene. 4-Chloro-3-nitrophenyl isocyanate. Benzene, 1-chloro-2-nitro-. Benzene, 2,4-dichloro-1-nitro-. Benzenamine, 2-chloro-5-nitro-. Benzene, 1-chloro-2-isothiocyanato-4-nitro-. Benzene, 1,4-dichloro-2-nitro-. Benzene, 4-chloro-1,2-dinitro-. Benzene, 1,2-dichloro-3-nitro-. Benzenamine, 3-chloro-4-nitro-.

Find more compounds similar to Benzene, 1-chloro-2,4-dinitro-.

Mixtures

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.