Mixture of 2-Hexanone + Phenol, 3-methyl- + Water

Excel

2-Hexanone

Name
2-Hexanone
InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChI Key
QQZOPKMRPOGIEB-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCCCC(C)=O
Mol. Weight (g/mol)
100.16
CAS
591-78-6

Phenol, 3-methyl-

Name
Phenol, 3-methyl-
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChI Key
RLSSMJSEOOYNOY-UHFFFAOYSA-N
Formula
C7H8O
SMILES
Cc1cccc(O)c1
Mol. Weight (g/mol)
108.14
CAS
108-39-4

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 Mass fraction (4)

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of 2-Hexanone (1) - Liquid mixture 2 Mass fraction of Phenol, 3-methyl- (2) - Liquid mixture 2 Mass fraction of Phenol, 3-methyl- (2) - Liquid mixture 1 Mass fraction of 2-Hexanone (1) - Liquid mixture 1
298.20 0.9773 0.0000 0.0000 0.0158
298.20 0.8657 0.1028 0.0004 0.0121
298.20 0.8230 0.1424 0.0006 0.0109
298.20 0.7948 0.1676 0.0007 0.0104
298.20 0.7443 0.2145 0.0010 0.0095
298.20 0.6862 0.2682 0.0015 0.0082
298.20 0.6345 0.3167 0.0020 0.0073
298.20 0.5993 0.3497 0.0024 0.0067
298.20 0.5688 0.3789 0.0027 0.0063
313.20 0.9732 0.0000 0.0000 0.0120
313.20 0.8545 0.1067 0.0004 0.0095
313.20 0.8190 0.1388 0.0006 0.0088
313.20 0.7852 0.1686 0.0008 0.0084
313.20 0.7606 0.1909 0.0010 0.0081
313.20 0.6649 0.2782 0.0018 0.0068
313.20 0.6236 0.3155 0.0022 0.0063
313.20 0.5559 0.3779 0.0030 0.0052
313.20 0.5360 0.3964 0.0032 0.0050

Temperature, K x Mole fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of 2-Hexanone (1) - Liquid mixture 2 Mole fraction of Phenol, 3-methyl- (2) - Liquid mixture 2 Mole fraction of 2-Hexanone (1) - Liquid mixture 1 Mole fraction of Phenol, 3-methyl- (2) - Liquid mixture 1
333.20 0.6881 0.0791 0.0018 0.0001
333.20 0.6430 0.1011 0.0018 0.0001
333.20 0.5895 0.1352 0.0018 0.0002
333.20 0.5313 0.1738 0.0017 0.0003
333.20 0.4707 0.2133 0.0016 0.0004
333.20 0.4214 0.2367 0.0015 0.0006
333.20 0.3690 0.2739 0.0014 0.0007
333.20 0.3039 0.3169 0.0013 0.0009
353.20 0.6653 0.0771 0.0019 0.0001
353.20 0.6289 0.0986 0.0019 0.0001
353.20 0.5718 0.1283 0.0018 0.0002
353.20 0.5221 0.1543 0.0018 0.0003
353.20 0.4816 0.1828 0.0017 0.0004
353.20 0.4115 0.2250 0.0016 0.0006
353.20 0.3621 0.2524 0.0015 0.0008
353.20 0.3063 0.2806 0.0014 0.0011
333.20 0.8530 0.0000 0.0020 0.0000
353.20 0.8360 0.0000 0.0020 0.0000

Temperature, K x Mass fraction [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mass fraction of 2-Hexanone (1) - Liquid mixture 2 Mass fraction of Phenol, 3-methyl- (2) - Liquid mixture 2 Mass fraction of Phenol, 3-methyl- (2) - Liquid mixture 1 Mass fraction of 2-Hexanone (1) - Liquid mixture 1
298.20 0.9773 0.0000 0.0000 0.0158
298.20 0.8657 0.1028 0.0004 0.0121
298.20 0.8230 0.1424 0.0006 0.0109
298.20 0.7948 0.1676 0.0007 0.0104
298.20 0.7443 0.2145 0.0010 0.0095
298.20 0.6862 0.2682 0.0015 0.0082
298.20 0.6345 0.3167 0.0020 0.0073
298.20 0.5993 0.3497 0.0024 0.0067
298.20 0.5688 0.3789 0.0027 0.0063
313.20 0.9732 0.0000 0.0000 0.0120
313.20 0.8545 0.1067 0.0004 0.0095
313.20 0.8190 0.1388 0.0006 0.0088
313.20 0.7852 0.1686 0.0008 0.0084
313.20 0.7606 0.1909 0.0010 0.0081
313.20 0.6649 0.2782 0.0018 0.0068
313.20 0.6236 0.3155 0.0022 0.0063
313.20 0.5559 0.3779 0.0030 0.0052
313.20 0.5360 0.3964 0.0032 0.0050

Temperature, K x Mole fraction [ref]

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

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of 2-Hexanone (1) - Liquid mixture 2 Mole fraction of Phenol, 3-methyl- (2) - Liquid mixture 2 Mole fraction of 2-Hexanone (1) - Liquid mixture 1 Mole fraction of Phenol, 3-methyl- (2) - Liquid mixture 1
333.20 0.6881 0.0791 0.0018 0.0001
333.20 0.6430 0.1011 0.0018 0.0001
333.20 0.5895 0.1352 0.0018 0.0002
333.20 0.5313 0.1738 0.0017 0.0003
333.20 0.4707 0.2133 0.0016 0.0004
333.20 0.4214 0.2367 0.0015 0.0006
333.20 0.3690 0.2739 0.0014 0.0007
333.20 0.3039 0.3169 0.0013 0.0009
353.20 0.6653 0.0771 0.0019 0.0001
353.20 0.6289 0.0986 0.0019 0.0001
353.20 0.5718 0.1283 0.0018 0.0002
353.20 0.5221 0.1543 0.0018 0.0003
353.20 0.4816 0.1828 0.0017 0.0004
353.20 0.4115 0.2250 0.0016 0.0006
353.20 0.3621 0.2524 0.0015 0.0008
353.20 0.3063 0.2806 0.0014 0.0011
333.20 0.8530 0.0000 0.0020 0.0000
353.20 0.8360 0.0000 0.0020 0.0000

Sources