Mixture of Ethanol + Acetic acid + Ethyl Acetate

Excel

Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

Acetic acid

Name
Acetic acid
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI Key
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Formula
C2H4O2
SMILES
CC(=O)O
Mol. Weight (g/mol)
60.05
CAS
64-19-7

Ethyl Acetate

Name
Ethyl Acetate
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCOC(C)=O
Mol. Weight (g/mol)
88.11
CAS
141-78-6
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. Excess molar enthalpy (molar enthalpy (2)

Excess molar enthalpy (molar enthalpy of mixing), kJ/mol [ref]

Operational conditions:

Fixed Measured
Mole fraction of Ethanol (1) - Liquid Mole fraction of Ethyl Acetate (3) - Liquid Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0000 0.5000 0.0000
0.0500 0.4750 0.1050
0.1000 0.4500 0.1900
0.1500 0.4250 0.2700
0.2000 0.4000 0.3360
0.2500 0.3750 0.3900
0.3000 0.3500 0.4350
0.3500 0.3250 0.4690
0.4000 0.3000 0.4930
0.4500 0.2750 0.5080
0.5000 0.2500 0.5130
0.5500 0.2250 0.5100
0.6000 0.2000 0.4960
0.6500 0.1750 0.4740
0.7000 0.1500 0.4410
0.7500 0.1250 0.3970
0.8000 0.1000 0.3430
0.8500 0.0750 0.2750
0.9000 0.0500 0.1950
0.9500 0.0250 0.1100
1.0000 0.0000 0.0000

Excess molar enthalpy (molar enthalpy of mixing), kJ/mol [ref]

Operational conditions:

Fixed Measured
Mole fraction of Ethanol (1) - Liquid Mole fraction of Ethyl Acetate (3) - Liquid Excess molar enthalpy (molar enthalpy of mixing), kJ/mol - Liquid
0.0000 0.5000 0.0000
0.0500 0.4750 0.1050
0.1000 0.4500 0.1900
0.1500 0.4250 0.2700
0.2000 0.4000 0.3360
0.2500 0.3750 0.3900
0.3000 0.3500 0.4350
0.3500 0.3250 0.4690
0.4000 0.3000 0.4930
0.4500 0.2750 0.5080
0.5000 0.2500 0.5130
0.5500 0.2250 0.5100
0.6000 0.2000 0.4960
0.6500 0.1750 0.4740
0.7000 0.1500 0.4410
0.7500 0.1250 0.3970
0.8000 0.1000 0.3430
0.8500 0.0750 0.2750
0.9000 0.0500 0.1950
0.9500 0.0250 0.1100
1.0000 0.0000 0.0000

Sources