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

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

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 0.0185
323.20 0.0100
318.20 0.0068
313.20 0.0034
308.20 0.0022
303.20 0.0012
298.20 0.0008
293.20 0.0004

Sources