Chemical Properties of 3-Hydroxyestra-2,5(10)-diene-1,4,17-trione (CAS 94996-48-2)

3-Hydroxyestra-2,5(10)-diene-1,4,17-trione

PDF Excel Molecule Calculator
InChI
InChI=1S/C18H20O4/c1-18-7-6-10-9(12(18)4-5-15(18)21)2-3-11-16(10)13(19)8-14(20)17(11)22/h8-10,12,20H,2-7H2,1H3
InChI Key
SDARQPHJTCICSI-UHFFFAOYSA-N
Formula
C18H20O4
SMILES
CC12CCC3C4=C(CCC3C1CCC2=O)C(=O)C(O)=CC4=O
Molecular Weight1
300.35
CAS
94996-48-2
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 -195.87 kJ/mol Joback Calculated Property
Δfgas -623.39 kJ/mol Joback Calculated Property
Δfus 22.01 kJ/mol Joback Calculated Property
Δvap 87.01 kJ/mol Joback Calculated Property
log10WS -3.34 Crippen Calculated Property
logPoct/wat 2.682 Crippen Calculated Property
McVol 223.020 ml/mol McGowan Calculated Property
Pc 2421.88 kPa Joback Calculated Property
Tboil 968.69 K Joback Calculated Property
Tc 1222.95 K Joback Calculated Property
Tfus 675.24 K Joback Calculated Property
Vc 0.842 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [813.48; 922.58] J/mol×K [968.69; 1222.95] Show Hide
Cp,gas 813.48 J/mol×K 968.69 Joback Calculated Property
Cp,gas 832.36 J/mol×K 1011.07 Joback Calculated Property
Cp,gas 850.74 J/mol×K 1053.44 Joback Calculated Property
Cp,gas 868.80 J/mol×K 1095.82 Joback Calculated Property
Cp,gas 886.68 J/mol×K 1138.20 Joback Calculated Property
Cp,gas 904.56 J/mol×K 1180.57 Joback Calculated Property
Cp,gas 922.58 J/mol×K 1222.95 Joback Calculated Property

Similar Compounds

3B-Hydroxy-androstan-5-en-17-one, enol, bis-TMS. GA3-13-O-glucoside, permethylated. GA5-13-O-«beta»-D-glucopyranoside, permethyl. SCHEMBL9488362. Chlormadinone acetate. trans-Isohumulone, TMS. GA3-3«beta»-O-glucoside, permethylated. GA7-3«beta»-O-glucoside, permethylated. cis-Isohumulone, TMS. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. GA1, 13-O-glucoside, permethylated. 3-epi-GA1-13-O-glucoside, permethylated. 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl.

Find more compounds similar to 3-Hydroxyestra-2,5(10)-diene-1,4,17-trione.

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.