Mixture of Hexadecane + 3-Hydroxyestra-1,3,5(10)-trien-17-one

Hexadecane

Name
Hexadecane
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key
DCAYPVUWAIABOU-UHFFFAOYSA-N
Formula
C16H34
SMILES
CCCCCCCCCCCCCCCC
Mol. Weight (g/mol)
226.45
CAS
544-76-3

3-Hydroxyestra-1,3,5(10)-trien-17-one

Name
3-Hydroxyestra-1,3,5(10)-trien-17-one
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChI Key
DNXHEGUUPJUMQT-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O
Mol. Weight (g/mol)
270.37
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Datasets

  1. Mole fraction

Mole fraction of 3-Hydroxyestra-1,3,5(10)-trien-17-one (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 3-Hydroxyestra-1,3,5(10)-trien-17-one (2) - Liquid
328.20 0.0095
323.20 0.0066
318.20 0.0046
313.20 0.0030
308.20 0.0021
303.20 0.0013
298.20 0.0010
293.20 0.0007

Sources