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

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

N-Formylmorpholine

Name
N-Formylmorpholine
InChI
InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
InChI Key
LCEDQNDDFOCWGG-UHFFFAOYSA-N
Formula
C5H9NO2
SMILES
O=CN1CCOCC1
Mol. Weight (g/mol)
115.13
CAS
4394-85-8
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Datasets

  1. Mole fraction

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

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 3-Hydroxyestra-1,3,5(10)-trien-17-one (1) - Liquid
328.20 0.0709
323.20 0.0570
318.20 0.0459
313.20 0.0374
308.20 0.0317
303.20 0.0291
298.20 0.0242
293.20 0.0203

Sources