Chemical Properties of 3-Methoxyestra-1,3,5(10),6,8,14-hexaen-17-one (CAS 21513-03-1)

3-Methoxyestra-1,3,5(10),6,8,14-hexaen-17-one

PDF Excel Molecule Calculator
InChI
InChI=1S/C19H18O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-7,11H,8-10H2,1-2H3
InChI Key
GSJXNXTTXUGDFZ-UHFFFAOYSA-N
Formula
C19H18O2
SMILES
COc1ccc2c3c(ccc2c1)C1=CCC(=O)C1(C)CC3
Molecular Weight1
278.35
CAS
21513-03-1
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
Δf 203.63 kJ/mol Joback Calculated Property
Δfgas -90.89 kJ/mol Joback Calculated Property
Δfus 23.19 kJ/mol Joback Calculated Property
Δvap 70.56 kJ/mol Joback Calculated Property
log10WS -5.52 Crippen Calculated Property
logPoct/wat 4.157 Crippen Calculated Property
McVol 216.770 ml/mol McGowan Calculated Property
Pc 2248.26 kPa Joback Calculated Property
Tboil 811.76 K Joback Calculated Property
Tc 1069.15 K Joback Calculated Property
Tfus 564.80 K Joback Calculated Property
Vc 0.830 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [647.79; 756.44] J/mol×K [811.76; 1069.15] Show Hide
Cp,gas 647.79 J/mol×K 811.76 Joback Calculated Property
Cp,gas 665.99 J/mol×K 854.66 Joback Calculated Property
Cp,gas 683.81 J/mol×K 897.56 Joback Calculated Property
Cp,gas 701.50 J/mol×K 940.46 Joback Calculated Property
Cp,gas 719.33 J/mol×K 983.36 Joback Calculated Property
Cp,gas 737.56 J/mol×K 1026.26 Joback Calculated Property
Cp,gas 756.44 J/mol×K 1069.15 Joback Calculated Property

Similar Compounds

5-Hydroxytryptophan, methyl, 3-PFP. Dihydromorphinone acetate. Hydrocodone. Hydromorphone. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. xanthosine-5'-monophosphate, TMS. Dihydromorphine. Acetyldihydrocodeine. Methyldihydromorphine. Benazepril Me. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. inosine-5'-monophosphate, TMS.

Find more compounds similar to 3-Methoxyestra-1,3,5(10),6,8,14-hexaen-17-one.

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.