Chemical Properties of 2,4,6-Trinitropyridine 1-oxide (CAS 25242-76-6)

2,4,6-Trinitropyridine 1-oxide

InChI
InChI=1S/C5H2N4O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2H
InChI Key
DQQZMAWSHWQSSF-UHFFFAOYSA-N
Formula
C5H2N4O7
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])[n+]([O-])c([N+](=O)[O-])c1
Molecular Weight1
230.09
CAS
25242-76-6
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Physical Properties

Property Value Unit Source
ΔcH°solid -2355.60 ± 1.30 kJ/mol NIST
ΔfH°gas 216.76 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid 102.10 ± 1.30 kJ/mol NIST
ΔsubH° 106.30 ± 2.90 kJ/mol NIST
ΔvapH° 82.98 kJ/mol Relay (1.0) Calculated Property
IE 10.05 eV Relay (1.0) Calculated Property
log10WS -2.60 Relay (1.0) Calculated Property
logPoct/wat 0.045 Crippen Calculated Property
McVol 125.660 ml/mol McGowan Calculated Property
Tboil 524.38 K Relay (1.0) Calculated Property
Tfus 400.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 106.30 ± 2.90 kJ/mol 390.00 NIST

Similar Compounds

L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me). Nomifensine M(HO), diacetylated, isomer # 1. RTI 23. Hydroxyaphyllidine. Argyrolobine. Floxuridine. Quinapril desethyl 3Me (Quinaprilate 3Me). cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, butylboronate. Oxazolam. RTI 12. 1,10-epoxyfuranoeremophilane. 1«beta»-Acetoxyfuranoeudesm-3-ene. Tetrabenazine M (bis-desmethyl-HO-), diacetylated.

Find more compounds similar to 2,4,6-Trinitropyridine 1-oxide.

Sources

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