Chemical Properties of Benzene, 2-chloro-1,3,5-trinitro- (CAS 88-88-0)

Benzene, 2-chloro-1,3,5-trinitro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
InChI Key
HJRJRUMKQCMYDL-UHFFFAOYSA-N
Formula
C6H2ClN3O6
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
Molecular Weight1
247.55
CAS
88-88-0
Other Names
  • 1-Chloro-2,4,6-trinitrobenzene
  • 2,4,6-Trinitro-1-chlorobenzene
  • 2,4,6-Trinitrochlorobenzene
  • 2-Chloro-1,3,5-trinitrobenzene
  • Picryl chloride
  • Tncb
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 -2691.16 kJ/mol NIST
Δf 177.88 kJ/mol Joback Calculated Property
Δfgas -13.07 kJ/mol Joback Calculated Property
Δfsolid 20.80 kJ/mol NIST
Δfus 42.45 kJ/mol Joback Calculated Property
Δvap 87.37 kJ/mol Joback Calculated Property
log10WS -4.11 Crippen Calculated Property
logPoct/wat 2.065 Crippen Calculated Property
McVol 136.140 ml/mol McGowan Calculated Property
Pc 4391.59 kPa Joback Calculated Property
Tboil 871.25 K Joback Calculated Property
Tc 1168.90 K Joback Calculated Property
Tfus 682.11 K Joback Calculated Property
Vc 0.558 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [334.86; 358.30] J/mol×K [871.25; 1168.90] Show Hide
Cp,gas 334.86 J/mol×K 871.25 Joback Calculated Property
Cp,gas 340.65 J/mol×K 920.86 Joback Calculated Property
Cp,gas 345.61 J/mol×K 970.47 Joback Calculated Property
Cp,gas 349.79 J/mol×K 1020.08 Joback Calculated Property
Cp,gas 353.27 J/mol×K 1069.69 Joback Calculated Property
Cp,gas 356.08 J/mol×K 1119.29 Joback Calculated Property
Cp,gas 358.30 J/mol×K 1168.90 Joback Calculated Property
ΔvapH 63.10 kJ/mol 508.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [473.00; 688.78] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.63366e+01
Coefficient B-7.59393e+03
Temperature range, min.473.00
Temperature range, max.688.78
Pvap 1.33 kPa 473.00 Calculated Property
Pvap 2.88 kPa 496.98 Calculated Property
Pvap 5.81 kPa 520.95 Calculated Property
Pvap 11.03 kPa 544.93 Calculated Property
Pvap 19.85 kPa 568.90 Calculated Property
Pvap 34.06 kPa 592.88 Calculated Property
Pvap 56.03 kPa 616.85 Calculated Property
Pvap 88.81 kPa 640.83 Calculated Property
Pvap 136.16 kPa 664.80 Calculated Property
Pvap 202.64 kPa 688.78 Calculated Property

Similar Compounds

Benzene, 1-chloro-2,4-dinitro-. 1-Chloro-2,6-dinitrobenzene. 1,3-Dichloro-4,6-dinitrobenzene. 1,3,5-Trinitrobenzene. 4-Chloro-3-nitrophenyl isothiocyanate. 4-chloro-3-nitroaniline. Benzenamine, 4-chloro-3-nitro-. 4-Chloro-3-nitrophenyl isocyanate. Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-. Benzene, 2-chloro-5-methyl-1,3-dinitro-. Benzene, 2,4-dichloro-1-nitro-. Benzenamine, 2-chloro-5-nitro-. Benzene, 1,3-dinitro-. Benzene, 1-chloro-2-nitro-. Benzene, 1-chloro-2-isothiocyanato-4-nitro-.

Find more compounds similar to Benzene, 2-chloro-1,3,5-trinitro-.

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.