Chemical Properties of cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate

cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate

InChI
InChI=1S/C21H22O6/c1-12(22)26-20-15-10-11-17(24-4)19(25-5)18(15)14-8-6-7-9-16(14)21(20,3)27-13(2)23/h6-11,20H,1-5H3/t20-,21+/m1/s1
InChI Key
BMCSEJOBKZMRSX-RTWAWAEBSA-N
Formula
C21H22O6
SMILES
COc1ccc2c(c1OC)-c1ccccc1C(C)(OC(C)=O)C2OC(C)=O
Molecular Weight1
370.40
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
ΔfusH° 39.63 kJ/mol Joback Calculated Property
logPoct/wat 3.767 Crippen Calculated Property
McVol 274.990 ml/mol McGowan Calculated Property
Inp 2735.00 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 [875.30; 972.76] J/mol×K [948.62; 1181.31] Show Hide
Cp,gas 875.30 J/mol×K 948.62 Joback Calculated Property
Cp,gas 892.13 J/mol×K 987.40 Joback Calculated Property
Cp,gas 908.57 J/mol×K 1026.18 Joback Calculated Property
Cp,gas 924.72 J/mol×K 1064.97 Joback Calculated Property
Cp,gas 940.72 J/mol×K 1103.75 Joback Calculated Property
Cp,gas 956.70 J/mol×K 1142.53 Joback Calculated Property
Cp,gas 972.76 J/mol×K 1181.31 Joback Calculated Property

Similar Compounds

cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, diacetate. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, diacetate. Benzylmorphine. BUPRENORPHINE. Nicocodine. Ethylmorphine, trimethylsilyl ether. Ajmaline. DIHYDROERGOKRYPTINE. Normorphine TMS. OXYCOLCHICINE. Hydromorphone, tert-butyldimethylsilyl ether. Hydromorphone, trimethylsilyl ether. Brucine. 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»)-.

Find more compounds similar to cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate.

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.