Chemical Properties of Pregnane-3,20-dione, (5«beta»)- (CAS 128-23-4)

Pregnane-3,20-dione, (5«beta»)-

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InChI
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m0/s1
InChI Key
XMRPGKVKISIQBV-IWQCLKLKSA-N
Formula
C21H32O2
SMILES
CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Molecular Weight1
316.48
CAS
128-23-4
Other Names
  • 5«beta»-Pregnane-3,20-dione
  • 5«beta»-Dihydroprogesterone
  • 5«beta»-Pregnan-3,20-dione
  • NSC 82868
  • 5beta-Pregnan-3,20-dione
  • 5B-Pregnan-3,20-dione
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Physical Properties

Property Value Unit Source
Δf 22.82 kJ/mol Joback Calculated Property
Δfgas -497.19 kJ/mol Joback Calculated Property
Δfus 23.91 kJ/mol Joback Calculated Property
Δvap 70.62 kJ/mol Joback Calculated Property
log10WS -5.06 Crippen Calculated Property
logPoct/wat 4.803 Crippen Calculated Property
McVol 266.450 ml/mol McGowan Calculated Property
Pc 1600.00 kPa Joback Calculated Property
Inp [2630.00; 2630.00]   Show Hide
Inp 2630.00 NIST
Inp 2630.00 NIST
Tboil 836.35 K Joback Calculated Property
Tc 1084.99 K Joback Calculated Property
Tfus [393.00; 565.40] K Show Hide
Tfus 565.40 ± 2.00 K NIST
Tfus 393.00 ± 4.00 K NIST
Tfus 473.00 ± 4.00 K NIST
Tfus 472.00 ± 6.00 K NIST
Vc 1.006 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [943.85; 1113.51] J/mol×K [836.35; 1084.99] Show Hide
Cp,gas 943.85 J/mol×K 836.35 Joback Calculated Property
Cp,gas 971.72 J/mol×K 877.79 Joback Calculated Property
Cp,gas 999.25 J/mol×K 919.23 Joback Calculated Property
Cp,gas 1026.83 J/mol×K 960.67 Joback Calculated Property
Cp,gas 1054.81 J/mol×K 1002.11 Joback Calculated Property
Cp,gas 1083.58 J/mol×K 1043.55 Joback Calculated Property
Cp,gas 1113.51 J/mol×K 1084.99 Joback Calculated Property

Similar Compounds

5«alpha»-Dihydroprogesterone. Cholestan-6-one, (5«alpha»)-. 1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanone. 15-nor-Funebran-3-one. Isocamphone. Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl-. 15-nor-3-Gymnomitrone. 6-Ketocholestan-3-one. 22-Ketocholest-3-one. Stigmastane-3,6-dione, (5«alpha»)-. trans-Isolongifolanone. 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-. Acorone. Isoacorone. Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, (1S)-.

Find more compounds similar to Pregnane-3,20-dione, (5«beta»)-.

Sources

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