Chemical Properties of Benzofuran, 7-(2,4-dinitrophenoxy)-3-ethoxy-2,3-dihydro-2,2-dimethyl- (CAS 62059-46-5)

Benzofuran, 7-(2,4-dinitrophenoxy)-3-ethoxy-2,3-dihydro-2,2-dimethyl-

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InChI
InChI=1S/C18H18N2O7/c1-4-25-17-12-6-5-7-15(16(12)27-18(17,2)3)26-14-9-8-11(19(21)22)10-13(14)20(23)24/h5-10,17H,4H2,1-3H3
InChI Key
NQDMYVDQNBMUIS-UHFFFAOYSA-N
Formula
C18H18N2O7
SMILES
CCOC1c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2OC1(C)C
Molecular Weight1
374.34
CAS
62059-46-5
Sources

Physical Properties

Property Value Unit Source
Δf 109.51 kJ/mol Joback Calculated Property
Δfgas -337.93 kJ/mol Joback Calculated Property
Δfus 54.89 kJ/mol Joback Calculated Property
Δvap 103.83 kJ/mol Joback Calculated Property
logPoct/wat 4.54 Crippen Calculated Property
Pc 2027.23 kPa Joback Calculated Property
Tboil 1062.30 K Joback Calculated Property
Tc 1332.11 K Joback Calculated Property
Tfus 791.39 K Joback Calculated Property
Vc 1.00 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 866.50 J/mol×K 1062.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-O- (ring) 1
=CH- (ring) 6
-NO2 2
=C< (ring) 6
-CH2- 1
>C< (ring) 1
-CH3 3
>CH- (ring) 1

Similar Compounds

Thebaine. Thebacon. Nalmefene, bis(trifluoroacetate). 3-O,6-O,N-Triacetylnormorphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Ergocristin. 6-O,N-Diacetylnorcodeine. Heptafluorobutyryl-codeine. Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-. ERGOTAMINE. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydroindolo[2,3-c]-quinazo-[3,2-a]-pyridine tartrate sesquihydrate. Chlortetracycline hydrochloride. 6-acetyl-3-propionyl-morphine. Acenaphthene-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Dipropanoylmorphine.

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