Chemical Properties of 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate (CAS 125638-43-9)

5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate

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InChI
InChI=1S/C25H38O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h16-21,23H,5-13H2,1-4H3,(H,28,29)
InChI Key
ZCECNGOCGUYLHX-UHFFFAOYSA-N
Formula
C25H38O6
SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC(CC(=O)O)C2OC(C)=O)C1
Molecular Weight1
434.57
CAS
125638-43-9
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Physical Properties

Property Value Unit Source
Δf -440.99 kJ/mol Joback Calculated Property
Δfgas -1124.56 kJ/mol Joback Calculated Property
Δfus 46.57 kJ/mol Joback Calculated Property
Δvap 109.65 kJ/mol Joback Calculated Property
log10WS -5.22 Crippen Calculated Property
logPoct/wat 4.593 Crippen Calculated Property
McVol 341.990 ml/mol McGowan Calculated Property
Pc 1274.60 kPa Joback Calculated Property
Tboil 1095.47 K Joback Calculated Property
Tc 1341.39 K Joback Calculated Property
Tfus 707.34 K Joback Calculated Property
Vc 1.288 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1380.02; 1603.21] J/mol×K [1095.47; 1341.39] Show Hide
Cp,gas 1380.02 J/mol×K 1095.47 Joback Calculated Property
Cp,gas 1412.56 J/mol×K 1136.46 Joback Calculated Property
Cp,gas 1446.49 J/mol×K 1177.44 Joback Calculated Property
Cp,gas 1482.16 J/mol×K 1218.43 Joback Calculated Property
Cp,gas 1519.93 J/mol×K 1259.41 Joback Calculated Property
Cp,gas 1560.17 J/mol×K 1300.40 Joback Calculated Property
Cp,gas 1603.21 J/mol×K 1341.39 Joback Calculated Property

Similar Compounds

3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone. 5Alpha-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 3-Oxa-a-nor-5alpha-androstan-2-one, 17-hydroxy-, acetate. Norcholic acid, acetate-methyl ester. Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. 5-hydroxy-isobornyl butyrate. Homocholic acid, acetate-methyl ester. Isobornyl caprate. Bornyl hexanoate. Isobornyl laureate. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-.

Find more compounds similar to 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate.

Sources

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