Chemical Properties of 1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene (CAS 5180-53-0)

1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene

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

InChI
InChI=1S/C14H8N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h3-6H,1-2H2
InChI Key
VCAOQUOHRYQAPU-UHFFFAOYSA-N
Formula
C14H8N6O12
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(CCc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
Molecular Weight1
452.25
CAS
5180-53-0
Other Names
  • 2,2',4,4',6,6'-Hexanitrodibenzyl
  • Bibenzyl, 2,2',4,4',6,6'-hexanitro-
  • Benzene, 1,1'-(1,2-ethanediyl)bis[2,4,6-trinitro-

Physical Properties

Property Value Unit Source
Δcsolid -6623.00 ± 3.00 kJ/mol NIST
Δf 447.34 kJ/mol Joback Calculated Property
Δfgas 7.39 kJ/mol Joback Calculated Property
Δfsolid -30.00 ± 3.00 kJ/mol NIST
Δfus 85.93 kJ/mol Joback Calculated Property
Δvap 154.83 kJ/mol Joback Calculated Property
log10WS -7.79 Crippen Calculated Property
logPoct/wat 2.921 Crippen Calculated Property
McVol 265.120 ml/mol McGowan Calculated Property
Pc 2718.33 kPa Joback Calculated Property
Tboil 1514.00 K Joback Calculated Property
Tc 1856.39 K Joback Calculated Property
Tfus 1237.16 K Joback Calculated Property
Vc 1.095 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [800.16; 803.29] J/mol×K [1514.00; 1856.39] Show Hide
Cp,gas 803.29 J/mol×K 1514.00 Joback Calculated Property
Cp,gas 802.79 J/mol×K 1571.07 Joback Calculated Property
Cp,gas 802.03 J/mol×K 1628.13 Joback Calculated Property
Cp,gas 801.21 J/mol×K 1685.20 Joback Calculated Property
Cp,gas 800.52 J/mol×K 1742.26 Joback Calculated Property
Cp,gas 800.16 J/mol×K 1799.33 Joback Calculated Property
Cp,gas 800.33 J/mol×K 1856.39 Joback Calculated Property

Similar Compounds

2,2'-Dinitrobibenzyl. Dibenzyl, 4,4'-difluoro-2,2'-dinitro-. 3-Nitroacenaphthene. 1,6-Di-(2,4-dinitro-phenyl)-hexane. 2,4,6-Trinitrophenoxyethyl nitrate. 1-Nitro-2-propylbenzene. 2,4-Dinitrophenylacetic acid. 1H-Indole, 1-acetyl-2,3-dihydro-6-nitro-. 1-Indolinecarboxaldehyde, 6-nitro-. o-nitrobutylbenzene. Benzene, 1-ethyl-2-nitro-. Benzeneethanol, 2-nitro-, acetate. Naphthalene, 1,2,3,4-tetrahydro-5-nitro-. 1-Acenaphthenone, 3-nitro-. Glutaric acid, di(2-(2-nitrophenyl)ethyl) ester.

Find more compounds similar to 1,3,5-Trinitro-2-[2-(2,4,6-trinitrophenyl)ethyl]benzene.

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.