Chemical Properties of 2,4,6-Trinitro-N-(methylnitro)-m-toluidine (CAS 43072-20-4)

2,4,6-Trinitro-N-(methylnitro)-m-toluidine

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InChI
InChI=1S/C8H7N5O8/c1-4-5(10(14)15)3-6(11(16)17)8(7(4)12(18)19)9(2)13(20)21/h3H,1-2H3
InChI Key
OUUSHEOSJOFZTA-UHFFFAOYSA-N
Formula
C8H7N5O8
SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N(C)[N+](=O)[O-])c1[N+](=O)[O-]
Molecular Weight1
301.17
CAS
43072-20-4
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Physical Properties

Property Value Unit Source
Δcsolid -4160.00 ± 3.00 kJ/mol NIST
Δf 343.35 kJ/mol Joback Calculated Property
Δfgas 6.69 kJ/mol Joback Calculated Property
Δfsolid 10.00 ± 3.00 kJ/mol NIST
Δfus 57.43 kJ/mol Joback Calculated Property
Δvap 106.73 kJ/mol Joback Calculated Property
log10WS -4.46 Crippen Calculated Property
logPoct/wat 1.348 Crippen Calculated Property
McVol 179.480 ml/mol McGowan Calculated Property
Pc 3589.94 kPa Joback Calculated Property
Tboil 1048.84 K Joback Calculated Property
Tc 1338.91 K Joback Calculated Property
Tfus 375.60 ± 0.20 K NIST
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [530.96; 553.49] J/mol×K [1048.84; 1338.91] Show Hide
Cp,gas 530.96 J/mol×K 1048.84 Joback Calculated Property
Cp,gas 536.59 J/mol×K 1097.18 Joback Calculated Property
Cp,gas 541.35 J/mol×K 1145.53 Joback Calculated Property
Cp,gas 545.33 J/mol×K 1193.87 Joback Calculated Property
Cp,gas 548.63 J/mol×K 1242.22 Joback Calculated Property
Cp,gas 551.32 J/mol×K 1290.56 Joback Calculated Property
Cp,gas 553.49 J/mol×K 1338.91 Joback Calculated Property
Cp,solid 326.40 J/mol×K 298.00 NIST
ΔfusH [19.33; 19.33] kJ/mol [375.60; 375.60] Show Hide
ΔfusH 19.33 kJ/mol 375.60 NIST
ΔfusH 19.33 kJ/mol 375.60 NIST
ΔfusS 51.50 J/mol×K 375.60 NIST

Similar Compounds

Lincomycin. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). Serotonin, N-isoBOC, O-TBDMS. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). norbormide. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Benazepril Me. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Retroisosenine. 5,6-Dihydrouracil riboside, TMS. Retroisosensine. SCHEMBL9488362. hematein. Pregnan-2,3,20-triol, GlcNAc, MeTMS. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS.

Find more compounds similar to 2,4,6-Trinitro-N-(methylnitro)-m-toluidine.

Sources

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