Mixture of Allyl alcohol + 1,3-Butadiene

Allyl alcohol

Name
Allyl alcohol
InChI
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChI Key
XXROGKLTLUQVRX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
C=CCO
Mol. Weight (g/mol)
58.08
CAS
107-18-6

1,3-Butadiene

Name
1,3-Butadiene
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChI Key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
Formula
C4H6
SMILES
C=CC=C
Mol. Weight (g/mol)
54.09
CAS
106-99-0
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. Activity coefficient
  2. Henry's Law constant (mole fraction scale), kPa

Activity coefficient of 1,3-Butadiene (2) [ref]

Operational condition: Mole fraction = 0 (Liquid)

Temperature, K - Liquid Activity coefficient of 1,3-Butadiene (2) - Liquid
250.00 4.12
270.01 4.06
289.99 4.02
310.00 3.89
329.99 3.59

Henry's Law constant (mole fraction scale), kPa of 1,3-Butadiene (2) [ref]

Operational condition: Mole fraction = 0 (Liquid)

Temperature, K - Liquid Henry's Law constant (mole fraction scale), kPa of 1,3-Butadiene (2) - Liquid
250.00 186.0
270.01 418.0
289.99 820.0
310.00 1410.0
329.99 2120.0

Sources