Chemical Properties of (6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol (CAS 2035-15-6)

(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol

InChI
InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1
InChI Key
HUKSJTUUSUGIDC-BDJLRTHQSA-N
Formula
C16H12O5
SMILES
Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4
Molecular Weight1
284.26
CAS
2035-15-6
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 56.86 kJ/mol Joback Calculated Property
logPoct/wat 2.731 Crippen Calculated Property
McVol 185.550 ml/mol McGowan Calculated Property
Inp [2724.90; 2724.90]   Show Hide
Inp 2724.90 NIST
Inp 2724.90 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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 [581.75; 664.08] J/mol×K [848.00; 1112.65] Show Hide
Cp,gas 581.75 J/mol×K 848.00 Joback Calculated Property
Cp,gas 594.84 J/mol×K 892.11 Joback Calculated Property
Cp,gas 607.79 J/mol×K 936.22 Joback Calculated Property
Cp,gas 620.88 J/mol×K 980.33 Joback Calculated Property
Cp,gas 634.43 J/mol×K 1024.43 Joback Calculated Property
Cp,gas 648.73 J/mol×K 1068.54 Joback Calculated Property
Cp,gas 664.08 J/mol×K 1112.65 Joback Calculated Property
η [0.0001717; 0.0006093] Pa×s [652.58; 848.00] Show Hide
η 0.0006093 Pa×s 652.58 Joback Calculated Property
η 0.0004692 Pa×s 685.15 Joback Calculated Property
η 0.0003700 Pa×s 717.72 Joback Calculated Property
η 0.0002979 Pa×s 750.29 Joback Calculated Property
η 0.0002442 Pa×s 782.86 Joback Calculated Property
η 0.0002034 Pa×s 815.43 Joback Calculated Property
η 0.0001717 Pa×s 848.00 Joback Calculated Property

Similar Compounds

Moexipril desethyl 3Me (Moexprilate 3Me). Glyceollin III, TMS. Moexipril Me. Glyceollin V, TMS. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Thebaine. Ergocristine. [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»)-. Acetylsenecivernine. Hydromorphone, trimethylsilyl ether. Neopine. Methyldesorphine. Brucine.

Find more compounds similar to (6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.