Chemical Properties of 2-CO2Me-3,4-(OH)2-4'-OMe-bibenzyl, acetylated

2-CO2Me-3,4-(OH)2-4'-OMe-bibenzyl, acetylated

InChI
InChI=1S/C21H22O7/c1-13(22)27-18-12-9-16(8-5-15-6-10-17(25-3)11-7-15)19(21(24)26-4)20(18)28-14(2)23/h6-7,9-12H,5,8H2,1-4H3
InChI Key
JRJJBYUGAJBEKT-UHFFFAOYSA-N
Formula
C21H22O7
SMILES
COC(=O)c1c(CCc2ccc(OC)cc2)ccc(OC(C)=O)c1OC(C)=O
Molecular Weight1
386.40
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Physical Properties

Property Value Unit Source
ΔfusH° 50.97 kJ/mol Joback Calculated Property
IE 7.63 eV Relay (1.0) Calculated Property
log10WS -4.46 Relay (1.0) Calculated Property
logPoct/wat 3.118 Crippen Calculated Property
McVol 287.420 ml/mol McGowan Calculated Property
Inp [2622.00; 2622.00]   Show Hide
Inp 2622.00 NIST
Inp 2622.00 NIST
Tfus 329.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [883.35; 917.49] J/mol×K [950.44; 1175.84] Show Hide
Cp,gas 883.35 J/mol×K 950.44 Joback Calculated Property
Cp,gas 893.49 J/mol×K 988.01 Joback Calculated Property
Cp,gas 901.86 J/mol×K 1025.57 Joback Calculated Property
Cp,gas 908.46 J/mol×K 1063.14 Joback Calculated Property
Cp,gas 913.27 J/mol×K 1100.71 Joback Calculated Property
Cp,gas 916.28 J/mol×K 1138.28 Joback Calculated Property
Cp,gas 917.49 J/mol×K 1175.84 Joback Calculated Property
η [0.0000180; 0.0001849] Pa×s [578.57; 950.44] Show Hide
η 0.0001849 Pa×s 578.57 Joback Calculated Property
η 0.0001040 Pa×s 640.55 Joback Calculated Property
η 0.0000647 Pa×s 702.53 Joback Calculated Property
η 0.0000435 Pa×s 764.50 Joback Calculated Property
η 0.0000311 Pa×s 826.48 Joback Calculated Property
η 0.0000232 Pa×s 888.46 Joback Calculated Property
η 0.0000180 Pa×s 950.44 Joback Calculated Property

Similar Compounds

killarniensolide, acetylated. killarniensolide. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. N-Acetylnornarcotine. Cytidine, dimethyl-TMS derivative. N-Desmethylmirtazapine. Quinine, trimethylsilyl ether. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 5,6-Dihydrouracil riboside, TMS. Hydrastine. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl.

Find more compounds similar to 2-CO2Me-3,4-(OH)2-4'-OMe-bibenzyl, acetylated.

Sources

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