Chemical Properties of O-nitro carbanilic acid, thymol ester (CAS 98309-55-8)

O-nitro carbanilic acid, thymol ester

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InChI
InChI=1S/C17H18N2O4/c1-11(2)13-9-8-12(3)10-16(13)23-17(20)18-14-6-4-5-7-15(14)19(21)22/h4-11H,1-3H3,(H,18,20)
InChI Key
XOBLYSKFOUACDO-UHFFFAOYSA-N
Formula
C17H18N2O4
SMILES
Cc1ccc(C(C)C)c(OC(=O)Nc2ccccc2[N+](=O)[O-])c1
Molecular Weight1
314.34
CAS
98309-55-8
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Physical Properties

Property Value Unit Source
Δf 176.77 kJ/mol Joback Calculated Property
Δfgas -162.93 kJ/mol Joback Calculated Property
Δfus 42.42 kJ/mol Joback Calculated Property
Δvap 91.77 kJ/mol Joback Calculated Property
log10WS -5.90 Crippen Calculated Property
logPoct/wat 4.638 Crippen Calculated Property
McVol 237.710 ml/mol McGowan Calculated Property
Pc 2155.30 kPa Joback Calculated Property
Tboil 934.52 K Joback Calculated Property
Tc 1184.51 K Joback Calculated Property
Tfus 625.18 K Joback Calculated Property
Vc 0.906 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [723.59; 775.51] J/mol×K [934.52; 1184.51] Show Hide
Cp,gas 723.59 J/mol×K 934.52 Joback Calculated Property
Cp,gas 735.28 J/mol×K 976.19 Joback Calculated Property
Cp,gas 745.68 J/mol×K 1017.85 Joback Calculated Property
Cp,gas 754.84 J/mol×K 1059.52 Joback Calculated Property
Cp,gas 762.83 J/mol×K 1101.18 Joback Calculated Property
Cp,gas 769.70 J/mol×K 1142.85 Joback Calculated Property
Cp,gas 775.51 J/mol×K 1184.51 Joback Calculated Property

Similar Compounds

ethyl eburnamenine-14-carboxylate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Moexipril Me. 5,6-Dihydrouracil riboside, TMS. Moexipril desethyl 3Me (Moexprilate 3Me). Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Noscapine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Hydrocodone. Dihydromorphinone acetate. Hydromorphone. Hydrastine. Nalmefene, bis(trifluoroacetate). Dihydromorphine.

Find more compounds similar to O-nitro carbanilic acid, thymol ester.

Sources

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