Chemical Properties of 4,6-Dinitro-o-cresol, isoBOC

4,6-Dinitro-o-cresol, isoBOC

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InChI
InChI=1S/C12H14N2O7/c1-7(2)6-20-12(15)21-11-8(3)4-9(13(16)17)5-10(11)14(18)19/h4-5,7H,6H2,1-3H3
InChI Key
TXXIVECIVKIRBG-UHFFFAOYSA-N
Formula
C12H14N2O7
SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OCC(C)C
Molecular Weight1
298.25
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Physical Properties

Property Value Unit Source
Δf -136.58 kJ/mol Joback Calculated Property
Δfgas -492.71 kJ/mol Joback Calculated Property
Δfus 42.88 kJ/mol Joback Calculated Property
Δvap 90.93 kJ/mol Joback Calculated Property
log10WS -4.64 Crippen Calculated Property
logPoct/wat 2.983 Crippen Calculated Property
McVol 204.330 ml/mol McGowan Calculated Property
Pc 2443.48 kPa Joback Calculated Property
Inp [2084.00; 2084.00]   Show Hide
Inp 2084.00 NIST
Inp 2084.00 NIST
Tboil 917.53 K Joback Calculated Property
Tc 1165.68 K Joback Calculated Property
Tfus 655.59 K Joback Calculated Property
Vc 0.799 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [611.73; 650.88] J/mol×K [917.53; 1165.68] Show Hide
Cp,gas 611.73 J/mol×K 917.53 Joback Calculated Property
Cp,gas 621.42 J/mol×K 958.89 Joback Calculated Property
Cp,gas 629.84 J/mol×K 1000.25 Joback Calculated Property
Cp,gas 636.99 J/mol×K 1041.61 Joback Calculated Property
Cp,gas 642.89 J/mol×K 1082.96 Joback Calculated Property
Cp,gas 647.52 J/mol×K 1124.32 Joback Calculated Property
Cp,gas 650.88 J/mol×K 1165.68 Joback Calculated Property

Similar Compounds

Dinobuton. Erucifoline (E). Erucifoline (Z). Nomifensine M(HO-methoxy), diacetylated. Integerrimine. 9-Angeloylanacrotine. Gynuramine. Usaramine. Sceleratine. Morazone. N-Acetylnornarcotine. Jacoline. Retrorsine. Senecionine. Desoxyaxillarine.

Find more compounds similar to 4,6-Dinitro-o-cresol, isoBOC.

Sources

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