Chemical Properties of 5Alpha-androsta-1-ene-3,11,17-trione (CAS 7339-06-2)

5Alpha-androsta-1-ene-3,11,17-trione

InChI
InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3
InChI Key
NYLSQMMWVJMFFO-UHFFFAOYSA-N
Formula
C19H24O3
SMILES
CC12CC(=O)C3C(CCC4CC(=O)C=CC43C)C1CCC2=O
Molecular Weight1
300.39
CAS
7339-06-2
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Physical Properties

Property Value Unit Source
ω 0.4990 Relay (1.0) Calculated Property
Δf -72.61 kJ/mol Joback Calculated Property
Δfgas -495.45 kJ/mol Relay (1.0) Calculated Property
Δfus 16.30 kJ/mol Joback Calculated Property
Δvap 102.88 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 3.122 Crippen Calculated Property
McVol 235.540 ml/mol McGowan Calculated Property
Pc 2007.30 kPa Joback Calculated Property
Tboil 634.91 K Relay (1.0) Calculated Property
Tc 933.01 K Relay (1.0) Calculated Property
Tfus 461.32 K Relay (1.0) Calculated Property
Vc 0.821 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [847.97; 1017.31] J/mol×K [876.19; 1150.84] Show Hide
Cp,gas 847.97 J/mol×K 876.19 Joback Calculated Property
Cp,gas 875.15 J/mol×K 921.97 Joback Calculated Property
Cp,gas 902.23 J/mol×K 967.74 Joback Calculated Property
Cp,gas 929.61 J/mol×K 1013.52 Joback Calculated Property
Cp,gas 957.65 J/mol×K 1059.29 Joback Calculated Property
Cp,gas 986.76 J/mol×K 1105.07 Joback Calculated Property
Cp,gas 1017.31 J/mol×K 1150.84 Joback Calculated Property

Similar Compounds

Androst-1-ene-3,17-dione, (5«alpha»)-. Androst-4-ene-3,11,17-trione. Cholest-1-en-3-one, (5«alpha»)-. Cyclopropa[d]naphthalen-2(4aH)-one, 1,1a,5,6,7,8-hexahydro-4a,8,8-trimethyl-, [1aR-(1a«alpha»,4a«beta»,8aS*)]-. Androsta-1,4-diene-3,11,17-trione. Androsta-4-ene-3,17-dione, 1alpha-deuterio-. Androstenedione. Progesterone. Helifolen-12-al D. helifolen-12-al (anti-syn-syn). Helifolen-12-al C. helifolen-12-al (anti-anti-anti). Heilfolen-12-al A. Helifolen-12-al B. Helifolen-12-al A.

Find more compounds similar to 5Alpha-androsta-1-ene-3,11,17-trione.

Sources

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