Chemical Properties of 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone

5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone

InChI
InChI=1S/C21H30O3/c1-20-7-5-14(22)11-13(20)3-4-15-16(20)6-8-21(2)17(15)9-12-10-18(23)24-19(12)21/h3,12,14-17,19,22H,4-11H2,1-2H3
InChI Key
UHRRKAOLVBHHLU-UHFFFAOYSA-N
Formula
C21H30O3
SMILES
CC12CCC(O)CC1=CCC1C2CCC2(C)C1CC1CC(=O)OC12
Molecular Weight1
330.47
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° 34.43 kJ/mol Joback Calculated Property
ΔvapH° 139.24 kJ/mol Relay (1.0) Calculated Property
log10WS -4.31 Relay (1.0) Calculated Property
logPoct/wat 3.852 Crippen Calculated Property
McVol 261.460 ml/mol McGowan Calculated Property
Tboil 686.17 K Relay (1.0) Calculated Property
Tfus 449.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [342.94; 1033.84] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.12160e+02
Coefficient B3.09254e+00
Coefficient C-2.83544e-03
Coefficient D1.08890e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.94 J/mol×K 273.00 Calculated Property
Cp,gas 475.25 J/mol×K 353.78 Calculated Property
Cp,gas 585.64 J/mol×K 434.56 Calculated Property
Cp,gas 677.55 J/mol×K 515.33 Calculated Property
Cp,gas 754.43 J/mol×K 596.11 Calculated Property
Cp,gas 819.72 J/mol×K 676.89 Calculated Property
Cp,gas 876.86 J/mol×K 757.67 Calculated Property
Cp,gas 929.30 J/mol×K 838.44 Calculated Property
Cp,gas 980.48 J/mol×K 919.22 Calculated Property
Cp,gas 1033.84 J/mol×K 1000.00 Calculated Property

Similar Compounds

Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone, acetate. Androst-5-ene-3,17-diol, 3-acetate, (3«beta»,17«beta»)-. 17-Ethylenedioxy-androst-5-en-3beta-ol. Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)-. Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-methyl ester. 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate. 5-Androsten-3-«beta»,17-«alpha»-diol, TFA. 5-Androsten-3-«beta»,17-«beta»-diol, TFA. 5-Androsten-3-«alpha»,17-«beta»-diol, TFA. Diosgenin. 5-Androsten-3-«beta»,17-«alpha»-diol, HFB. 5-Androsten-3-«alpha»,17-«beta»-diol, HFB. 5-Androsten-3-«beta»,17-«beta»-diol, HFB. Cholesteryl laurate.

Find more compounds similar to 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.