Chemical Properties of [4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl-1)-acetic acid, methyl ester

[4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl-1)-acetic acid, methyl ester

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InChI
InChI=1S/C20H26O8/c1-25-13-9-15(22)20(16(10-13)26-2)19-12(8-18(24)28-4)5-11(6-14(19)21)7-17(23)27-3/h9-12,19,22H,5-8H2,1-4H3
InChI Key
YIFWAUXYLIDRDO-UHFFFAOYSA-N
Formula
C20H26O8
SMILES
COC(=O)CC1CC(=O)C(c2c(O)cc(OC)cc2OC)C(CC(=O)OC)C1
Molecular Weight1
394.42
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Physical Properties

Property Value Unit Source
Δf -735.35 kJ/mol Joback Calculated Property
Δfgas -1297.95 kJ/mol Joback Calculated Property
Δfus 48.04 kJ/mol Joback Calculated Property
Δvap 103.92 kJ/mol Joback Calculated Property
log10WS -2.63 Crippen Calculated Property
logPoct/wat 2.215 Crippen Calculated Property
McVol 292.100 ml/mol McGowan Calculated Property
Pc 1657.84 kPa Joback Calculated Property
Inp [2979.00; 2979.00]   Show Hide
Inp 2979.00 NIST
Inp 2979.00 NIST
Tboil 1049.71 K Joback Calculated Property
Tc 1291.32 K Joback Calculated Property
Tfus 734.24 K Joback Calculated Property
Vc 1.036 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1013.98; 1042.93] J/mol×K [1049.71; 1291.32] Show Hide
Cp,gas 1013.98 J/mol×K 1049.71 Joback Calculated Property
Cp,gas 1024.12 J/mol×K 1089.98 Joback Calculated Property
Cp,gas 1032.11 J/mol×K 1130.25 Joback Calculated Property
Cp,gas 1037.92 J/mol×K 1170.51 Joback Calculated Property
Cp,gas 1041.54 J/mol×K 1210.78 Joback Calculated Property
Cp,gas 1042.93 J/mol×K 1251.05 Joback Calculated Property
Cp,gas 1042.08 J/mol×K 1291.32 Joback Calculated Property

Similar Compounds

[4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl]acetic acid, methyl ester. N-Desmethyl-cis-tramadol. 12-O-Methylcarnosol. N-Desmethyl-cis-tramadol, N-trimethylsilyl-, trimethylsilyl ether. Nabilone. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. azadirachtin. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. risperidone. Retroisosenine. Retroisosensine. 5,6-Dihydrouracil riboside, TMS. Zinc octaethylporphyrin chloride.

Find more compounds similar to [4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl-1)-acetic acid, methyl ester.

Sources

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