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

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

1-Pentanol

Name
1-Pentanol
InChI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChI Key
AMQJEAYHLZJPGS-UHFFFAOYSA-N
Formula
C5H12O
SMILES
CCCCCO
Mol. Weight (g/mol)
88.15
CAS
71-41-0
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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 0.0032
323.20 0.0024
318.20 0.0020
313.20 0.0018
308.20 0.0016
303.20 0.0013
298.20 0.0010
293.20 0.0008

Sources