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

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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-
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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

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