Mixture of Furaneol + Acetic acid, butyl ester

Excel

Furaneol

Name
Furaneol
InChI
InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChI Key
INAXVXBDKKUCGI-UHFFFAOYSA-N
Formula
C6H8O3
SMILES
CC1=C(O)C(=O)C(C)O1
Mol. Weight (g/mol)
128.13
CAS
3658-77-3

Acetic acid, butyl ester

Name
Acetic acid, butyl ester
InChI
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI Key
DKPFZGUDAPQIHT-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCCOC(C)=O
Mol. Weight (g/mol)
116.16
CAS
123-86-4
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 (2)

Mole fraction of Furaneol (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Furaneol (1) - Liquid
283.15 0.0557
288.15 0.0799
293.15 0.1080
298.15 0.1359
303.15 0.1650
308.15 0.2110
313.15 0.2582
318.15 0.3002

Mole fraction of Furaneol (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Furaneol (1) - Liquid
283.15 0.0557
288.15 0.0799
293.15 0.1080
298.15 0.1359
303.15 0.1650
308.15 0.2110
313.15 0.2582
318.15 0.3002

Sources