Chemical Properties of 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(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester

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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?/m1/s1
InChI Key
YNXYGYKASMZFRX-LEZOKFINSA-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
ΔfG° -109.31 kJ/mol Joback Calculated Property
ΔfH°gas -522.02 kJ/mol Joback Calculated Property
ΔfusH° 39.80 kJ/mol Joback Calculated Property
ΔvapH° 89.51 kJ/mol Joback Calculated Property
log10WS -3.27 Crippen Calculated Property
logPoct/wat 2.810 Crippen Calculated Property
McVol 272.350 ml/mol McGowan Calculated Property
Pc 1864.33 kPa Joback Calculated Property
I [2837.00; 2837.00]   Show Hide
I 2837.00 NIST
I 2837.00 NIST
Tboil 945.25 K Joback Calculated Property
Tc 1195.33 K Joback Calculated Property
Tfus 649.15 K Joback Calculated Property
Vc 1.028 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [905.41; 1069.20] J/mol×K [945.25; 1195.33] Show Hide
Cp,gas 905.41 J/mol×K 945.25 Joback Calculated Property
Cp,gas 928.73 J/mol×K 986.93 Joback Calculated Property
Cp,gas 953.14 J/mol×K 1028.61 Joback Calculated Property
Cp,gas 979.00 J/mol×K 1070.29 Joback Calculated Property
Cp,gas 1006.71 J/mol×K 1111.97 Joback Calculated Property
Cp,gas 1036.65 J/mol×K 1153.65 Joback Calculated Property
Cp,gas 1069.20 J/mol×K 1195.33 Joback Calculated Property

Similar Compounds

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. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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

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