Mixture of Betaine + Pentanoic acid, 4-oxo- + D-Fructose

Excel

Betaine

Name
Betaine
InChI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChI Key
KWIUHFFTVRNATP-UHFFFAOYSA-N
Formula
C5H11NO2
SMILES
C[N+](C)(C)CC(=O)[O-]
Mol. Weight (g/mol)
117.15
CAS
107-43-7

Pentanoic acid, 4-oxo-

Name
Pentanoic acid, 4-oxo-
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key
JOOXCMJARBKPKM-UHFFFAOYSA-N
Formula
C5H8O3
SMILES
CC(=O)CCC(=O)O
Mol. Weight (g/mol)
116.12
CAS
123-76-2

D-Fructose

Name
D-Fructose
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2
InChI Key
LKDRXBCSQODPBY-UHFFFAOYSA-N
Formula
C6H12O6
SMILES
OCC1(O)OCC(O)C(O)C1O
Mol. Weight (g/mol)
180.16
CAS
6347-01-9
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. Mass fraction (2)

Mass fraction of D-Fructose (3) [ref]

Operational conditions:

Temperature, K - Liquid Mass fraction of D-Fructose (3) - Liquid
303.15 0.2000
323.15 0.2000
353.15 0.2000

Mass fraction of D-Fructose (3) [ref]

Operational conditions:

Temperature, K - Liquid Mass fraction of D-Fructose (3) - Liquid
303.15 0.2000
323.15 0.2000
353.15 0.2000

Sources