Mixture of Acetonitrile + 1-Butanol + Water

Excel

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

1-Butanol

Name
1-Butanol
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Mol. Weight (g/mol)
74.12
CAS
71-36-3

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. Temperature, K x Mole fraction (2)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Acetonitrile (1) - Liquid mixture 1 Mole fraction of Acetonitrile (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
303.20 0.5110 0.0000 0.0000 0.9780
323.20 0.5890 0.0340 0.0120 0.9650
323.20 0.6190 0.0490 0.0190 0.9600
323.20 0.6620 0.0660 0.0270 0.9470
323.20 0.7140 0.0760 0.0370 0.9290
323.20 0.7980 0.0720 0.0510 0.8870
343.20 0.5810 0.0000 0.0000 0.9840
343.20 0.6120 0.0170 0.0060 0.9720
343.20 0.6340 0.0300 0.0110 0.9650
343.20 0.6900 0.0500 0.0220 0.9480
343.20 0.6950 0.0510 0.0270 0.9400
303.20 0.5420 0.0250 0.0090 0.9690
343.20 0.7860 0.0600 0.0370 0.9120
303.20 0.5770 0.0490 0.0190 0.9570
303.20 0.6160 0.0690 0.0280 0.9460
303.20 0.6590 0.0840 0.0360 0.9350
303.20 0.6970 0.0910 0.0440 0.9210
303.20 0.7910 0.0820 0.0600 0.8730
323.20 0.5430 0.0000 0.0000 0.9820
323.20 0.5680 0.0190 0.0070 0.9750

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 2)

Fixed Measured
Temperature, K - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Acetonitrile (1) - Liquid mixture 1 Mole fraction of Acetonitrile (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
303.20 0.5110 0.0000 0.0000 0.9780
323.20 0.5890 0.0340 0.0120 0.9650
323.20 0.6190 0.0490 0.0190 0.9600
323.20 0.6620 0.0660 0.0270 0.9470
323.20 0.7140 0.0760 0.0370 0.9290
323.20 0.7980 0.0720 0.0510 0.8870
343.20 0.5810 0.0000 0.0000 0.9840
343.20 0.6120 0.0170 0.0060 0.9720
343.20 0.6340 0.0300 0.0110 0.9650
343.20 0.6900 0.0500 0.0220 0.9480
343.20 0.6950 0.0510 0.0270 0.9400
303.20 0.5420 0.0250 0.0090 0.9690
343.20 0.7860 0.0600 0.0370 0.9120
303.20 0.5770 0.0490 0.0190 0.9570
303.20 0.6160 0.0690 0.0280 0.9460
303.20 0.6590 0.0840 0.0360 0.9350
303.20 0.6970 0.0910 0.0440 0.9210
303.20 0.7910 0.0820 0.0600 0.8730
323.20 0.5430 0.0000 0.0000 0.9820
323.20 0.5680 0.0190 0.0070 0.9750

Sources