Chemical Properties of Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester

Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester

InChI
InChI=1S/C22H22O5/c1-21-13-27-22(14-9-5-4-6-10-14,16-12-8-7-11-15(16)21)18(20(24)26-3)17(21)19(23)25-2/h4-12,17-18H,13H2,1-3H3/t17-,18-,21+,22?/m0/s1
InChI Key
YNXYGYKASMZFRX-WUZAXQHHSA-N
Formula
C22H22O5
SMILES
COC(=O)C1C(C(=O)OC)C2(c3ccccc3)OCC1(C)c1ccccc12
Molecular Weight1
366.41
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Physical Properties

Property Value Unit Source
ΔfusH° 42.96 kJ/mol Joback Calculated Property
logPoct/wat 2.810 Crippen Calculated Property
McVol 272.350 ml/mol McGowan Calculated Property
I [2897.00; 2897.00]   Show Hide
I 2897.00 NIST
I 2897.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [360.05; 937.43] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.91070e+02
Coefficient B2.59656e+00
Coefficient C-2.36006e-03
Coefficient D8.92000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 360.05 J/mol×K 273.00 Calculated Property
Cp,gas 471.65 J/mol×K 353.78 Calculated Property
Cp,gas 564.81 J/mol×K 434.56 Calculated Property
Cp,gas 642.34 J/mol×K 515.33 Calculated Property
Cp,gas 707.07 J/mol×K 596.11 Calculated Property
Cp,gas 761.82 J/mol×K 676.89 Calculated Property
Cp,gas 809.41 J/mol×K 757.67 Calculated Property
Cp,gas 852.67 J/mol×K 838.44 Calculated Property
Cp,gas 894.40 J/mol×K 919.22 Calculated Property
Cp,gas 937.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Ergocristine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. HEPTAFLUOROBUTYRYL-CODEINE. 3-propionyl-morphine. DIHYDROERGOTAMINE. uridine-2'(3')-monophosphate, TMS. Ethylmorphine. Norcodeine. Brucine. CODEIN-PROPIONYL. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-.

Find more compounds similar to Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester.

Sources

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