Mixture of 1-Butanethiol + Methyldiethanolamine + Water

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1-Butanethiol

Name
1-Butanethiol
InChI
InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
WQAQPCDUOCURKW-UHFFFAOYSA-N
Formula
C4H10S
SMILES
CCCCS
Mol. Weight (g/mol)
90.19
CAS
109-79-5

Methyldiethanolamine

Name
Methyldiethanolamine
InChI
InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
InChI Key
CRVGTESFCCXCTH-UHFFFAOYSA-N
Formula
C5H13NO2
SMILES
CN(CCO)CCO
Mol. Weight (g/mol)
119.16
CAS
105-59-9

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5
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Datasets

  1. Activity coefficient (2)
  2. Henry's Law constant (mole fraction scale), kPa (4)

Activity coefficient of 1-Butanethiol (1) [ref]

Operational condition: Mole fraction = 0 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Methyldiethanolamine (2) - Liquid Activity coefficient of 1-Butanethiol (1) - Liquid
293.10 0.2500 708.0
293.10 0.3500 552.0
303.10 0.2500 622.0
303.10 0.3500 577.0
313.10 0.2500 623.0
313.10 0.3500 487.0
318.10 0.2500 644.0
323.10 0.3500 451.0
333.10 0.3500 446.0
343.10 0.3500 413.0

Activity coefficient of 1-Butanethiol (1) [ref]

Operational condition: Mole fraction = 0 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Methyldiethanolamine (2) - Liquid Activity coefficient of 1-Butanethiol (1) - Liquid
293.10 0.2500 708.0
293.10 0.3500 552.0
303.10 0.2500 622.0
303.10 0.3500 577.0
313.10 0.2500 623.0
313.10 0.3500 487.0
318.10 0.2500 644.0
323.10 0.3500 451.0
333.10 0.3500 446.0
343.10 0.3500 413.0

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

Operational conditions:

Temperature, K - Liquid Henry's Law constant (mole fraction scale), kPa of 1-Butanethiol (1) - Liquid
292.80 1800.0
302.60 3200.0
312.70 3100.0
322.90 4700.0
332.40 7200.0
342.80 9300.0

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

Operational condition: Mole fraction = 0 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Methyldiethanolamine (2) - Liquid Henry's Law constant (mole fraction scale), kPa of 1-Butanethiol (1) - Liquid
293.10 0.2500 3400.0
293.10 0.3500 2700.0
303.10 0.2500 4900.0
303.10 0.3500 4600.0
313.10 0.2500 7800.0
313.10 0.3500 6100.0
318.10 0.2500 10000.0
323.10 0.3500 8600.0
333.10 0.3500 12600.0
343.10 0.3500 16900.0

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

Operational conditions:

Temperature, K - Liquid Henry's Law constant (mole fraction scale), kPa of 1-Butanethiol (1) - Liquid
292.80 1800.0
302.60 3200.0
312.70 3100.0
322.90 4700.0
332.40 7200.0
342.80 9300.0

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

Operational condition: Mole fraction = 0 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Methyldiethanolamine (2) - Liquid Henry's Law constant (mole fraction scale), kPa of 1-Butanethiol (1) - Liquid
293.10 0.2500 3400.0
293.10 0.3500 2700.0
303.10 0.2500 4900.0
303.10 0.3500 4600.0
313.10 0.2500 7800.0
313.10 0.3500 6100.0
318.10 0.2500 10000.0
323.10 0.3500 8600.0
333.10 0.3500 12600.0
343.10 0.3500 16900.0

Sources