Mixture of 3-Penten-2-one, 4-methyl- + Phenol + Water

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3-Penten-2-one, 4-methyl-

Name
3-Penten-2-one, 4-methyl-
InChI
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChI Key
SHOJXDKTYKFBRD-UHFFFAOYSA-N
Formula
C6H10O
SMILES
CC(=O)C=C(C)C
Mol. Weight (g/mol)
98.14
CAS
141-79-7

Phenol

Name
Phenol
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Formula
C6H6O
SMILES
Oc1ccccc1
Mol. Weight (g/mol)
94.11
CAS
108-95-2

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 (4)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 2 Mole fraction of Phenol (2) - Liquid mixture 2 Mole fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 1 Mole fraction of Phenol (2) - Liquid mixture 1
333.20 0.8094 0.0564 0.0022 0.0001
333.20 0.7506 0.0855 0.0021 0.0002
333.20 0.6159 0.1634 0.0017 0.0006
333.20 0.5419 0.2104 0.0016 0.0010
333.20 0.4553 0.2544 0.0013 0.0015
333.20 0.3646 0.2948 0.0009 0.0020
333.20 0.2893 0.3260 0.0008 0.0031
333.20 0.2147 0.3588 0.0006 0.0053
353.20 0.7957 0.0369 0.0022 0.0001
353.20 0.7214 0.0769 0.0022 0.0002
353.20 0.5779 0.1496 0.0020 0.0004
353.20 0.4202 0.2215 0.0013 0.0012
353.20 0.2940 0.2671 0.0010 0.0020
353.20 0.2085 0.2849 0.0008 0.0038
353.20 0.1578 0.2958 0.0004 0.0044
353.20 0.0978 0.2951 0.0003 0.0064

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 2 Mass fraction of Phenol (2) - Liquid mixture 2 Mass fraction of Phenol (2) - Liquid mixture 1 Mass fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 1
298.15 0.0118 0.0061 0.3167 0.6325
313.15 0.0098 0.0077 0.3195 0.6256
313.15 0.0109 0.0068 0.2993 0.6474
313.15 0.0137 0.0045 0.2444 0.7051
313.15 0.0161 0.0025 0.1540 0.7968
313.15 0.0180 0.0012 0.0932 0.8591
313.15 0.0189 0.0008 0.0641 0.8906
313.15 0.0194 0.0006 0.0538 0.9013
313.15 0.0206 0.0003 0.0263 0.9300
313.15 0.0216 0.0000 0.0000 0.9580
323.15 0.0074 0.0088 0.3221 0.6207
298.15 0.0138 0.0045 0.2692 0.6834
323.15 0.0098 0.0067 0.2598 0.6842
323.15 0.0121 0.0047 0.1995 0.7464
323.15 0.0148 0.0025 0.1263 0.8207
323.15 0.0162 0.0014 0.0822 0.8674
323.15 0.0170 0.0010 0.0626 0.8885
323.15 0.0179 0.0005 0.0364 0.9155
323.15 0.0182 0.0003 0.0264 0.9256
323.15 0.0196 0.0000 0.0000 0.9545
298.15 0.0168 0.0031 0.1943 0.7594
298.15 0.0191 0.0016 0.1276 0.8275
298.15 0.0203 0.0011 0.0953 0.8616
298.15 0.0217 0.0007 0.0626 0.8950
298.15 0.0224 0.0005 0.0505 0.9083
298.15 0.0237 0.0002 0.0245 0.9359
298.15 0.0255 0.0000 0.0000 0.9622

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 2 Mole fraction of Phenol (2) - Liquid mixture 2 Mole fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 1 Mole fraction of Phenol (2) - Liquid mixture 1
333.20 0.8094 0.0564 0.0022 0.0001
333.20 0.7506 0.0855 0.0021 0.0002
333.20 0.6159 0.1634 0.0017 0.0006
333.20 0.5419 0.2104 0.0016 0.0010
333.20 0.4553 0.2544 0.0013 0.0015
333.20 0.3646 0.2948 0.0009 0.0020
333.20 0.2893 0.3260 0.0008 0.0031
333.20 0.2147 0.3588 0.0006 0.0053
353.20 0.7957 0.0369 0.0022 0.0001
353.20 0.7214 0.0769 0.0022 0.0002
353.20 0.5779 0.1496 0.0020 0.0004
353.20 0.4202 0.2215 0.0013 0.0012
353.20 0.2940 0.2671 0.0010 0.0020
353.20 0.2085 0.2849 0.0008 0.0038
353.20 0.1578 0.2958 0.0004 0.0044
353.20 0.0978 0.2951 0.0003 0.0064

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 2 Mass fraction of Phenol (2) - Liquid mixture 2 Mass fraction of Phenol (2) - Liquid mixture 1 Mass fraction of 3-Penten-2-one, 4-methyl- (1) - Liquid mixture 1
298.15 0.0118 0.0061 0.3167 0.6325
313.15 0.0098 0.0077 0.3195 0.6256
313.15 0.0109 0.0068 0.2993 0.6474
313.15 0.0137 0.0045 0.2444 0.7051
313.15 0.0161 0.0025 0.1540 0.7968
313.15 0.0180 0.0012 0.0932 0.8591
313.15 0.0189 0.0008 0.0641 0.8906
313.15 0.0194 0.0006 0.0538 0.9013
313.15 0.0206 0.0003 0.0263 0.9300
313.15 0.0216 0.0000 0.0000 0.9580
323.15 0.0074 0.0088 0.3221 0.6207
298.15 0.0138 0.0045 0.2692 0.6834
323.15 0.0098 0.0067 0.2598 0.6842
323.15 0.0121 0.0047 0.1995 0.7464
323.15 0.0148 0.0025 0.1263 0.8207
323.15 0.0162 0.0014 0.0822 0.8674
323.15 0.0170 0.0010 0.0626 0.8885
323.15 0.0179 0.0005 0.0364 0.9155
323.15 0.0182 0.0003 0.0264 0.9256
323.15 0.0196 0.0000 0.0000 0.9545
298.15 0.0168 0.0031 0.1943 0.7594
298.15 0.0191 0.0016 0.1276 0.8275
298.15 0.0203 0.0011 0.0953 0.8616
298.15 0.0217 0.0007 0.0626 0.8950
298.15 0.0224 0.0005 0.0505 0.9083
298.15 0.0237 0.0002 0.0245 0.9359
298.15 0.0255 0.0000 0.0000 0.9622

Sources