Mixture of 2-Pyrrolidinone, 1-methyl- + Estrone

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2-Pyrrolidinone, 1-methyl-

Name
2-Pyrrolidinone, 1-methyl-
InChI
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChI Key
SECXISVLQFMRJM-UHFFFAOYSA-N
Formula
C5H9NO
SMILES
CN1CCCC1=O
Mol. Weight (g/mol)
99.13
CAS
872-50-4

Estrone

Name
Estrone
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
InChI Key
DNXHEGUUPJUMQT-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O
Mol. Weight (g/mol)
270.37
CAS
53-16-7
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Datasets

  1. Mole fraction (2)

Mole fraction of Estrone (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Estrone (2) - Liquid
328.20 0.0115
323.20 0.0100
318.20 0.0074
313.20 0.0054
308.20 0.0044
303.20 0.0035
298.20 0.0029
293.20 0.0022

Mole fraction of Estrone (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Estrone (2) - Liquid
328.20 0.0115
323.20 0.0100
318.20 0.0074
313.20 0.0054
308.20 0.0044
303.20 0.0035
298.20 0.0029
293.20 0.0022

Sources