Chemical Properties of 3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol (CAS 133070-71-0)

3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol

InChI
InChI=1S/C22H26O3/c1-4-22(24)12-10-20-19-7-5-15-13-16(25-14(2)23)6-8-17(15)18(19)9-11-21(20,22)3/h5-8,13,20,24H,4,9-12H2,1-3H3
InChI Key
YQEMHVRYFAVXBT-UHFFFAOYSA-N
Formula
C22H26O3
SMILES
CCC1(O)CCC2c3ccc4cc(OC(C)=O)ccc4c3CCC21C
Molecular Weight1
338.44
CAS
133070-71-0
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Physical Properties

Property Value Unit Source
ω 0.8080 Relay (1.0) Calculated Property
ΔfG° 44.50 kJ/mol Joback Calculated Property
ΔfH°gas -488.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.15 kJ/mol Joback Calculated Property
ΔvapH° 130.98 kJ/mol Relay (1.0) Calculated Property
IE 7.52 eV Relay (1.0) Calculated Property
log10WS -4.66 Relay (1.0) Calculated Property
logPoct/wat 4.736 Crippen Calculated Property
McVol 269.210 ml/mol McGowan Calculated Property
Pc 1859.51 kPa Joback Calculated Property
Tboil 704.16 K Relay (1.0) Calculated Property
Tc 1003.44 K Relay (1.0) Calculated Property
Tfus 433.61 K Relay (1.0) Calculated Property
Vc 0.971 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [911.37; 1076.71] J/mol×K [945.39; 1177.95] Show Hide
Cp,gas 911.37 J/mol×K 945.39 Joback Calculated Property
Cp,gas 934.76 J/mol×K 984.15 Joback Calculated Property
Cp,gas 959.37 J/mol×K 1022.91 Joback Calculated Property
Cp,gas 985.53 J/mol×K 1061.67 Joback Calculated Property
Cp,gas 1013.59 J/mol×K 1100.43 Joback Calculated Property
Cp,gas 1043.87 J/mol×K 1139.19 Joback Calculated Property
Cp,gas 1076.71 J/mol×K 1177.95 Joback Calculated Property

Similar Compounds

17 «alpha» Dihydroequilenin. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Retroisosenine. Retroisosensine. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-HFB. Indane-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Brucine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. 6-acetyl-3-propionyl-morphine. Codeine-propionyl. Ergotamine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Find more compounds similar to 3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol.

Sources

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