Mixture of Cyclohexanol + Cyclohexene + Isophorone

Excel

Cyclohexanol

Name
Cyclohexanol
InChI
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChI Key
HPXRVTGHNJAIIH-UHFFFAOYSA-N
Formula
C6H12O
SMILES
OC1CCCCC1
Mol. Weight (g/mol)
100.16
CAS
108-93-0

Cyclohexene

Name
Cyclohexene
InChI
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
InChI Key
HGCIXCUEYOPUTN-UHFFFAOYSA-N
Formula
C6H10
SMILES
C1=CCCCC1
Mol. Weight (g/mol)
82.14
CAS
110-83-8

Isophorone

Name
Isophorone
InChI
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChI Key
HJOVHMDZYOCNQW-UHFFFAOYSA-N
Formula
C9H14O
SMILES
CC1=CC(=O)CC(C)(C)C1
Mol. Weight (g/mol)
138.21
CAS
78-59-1
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Datasets

  1. Temperature, K x Mole fraction (2)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 500 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Cyclohexene (2) - Liquid Mole fraction of Cyclohexanol (1) - Liquid Mole fraction of Cyclohexanol (1) - Gas Mole fraction of Cyclohexene (2) - Gas
427.60 0.8190 0.1720 0.0290 0.9700
433.90 0.8280 0.1640 0.0220 0.9680
434.70 0.8050 0.1470 0.0220 0.9680
435.80 0.7530 0.1410 0.0300 0.9580
439.80 0.7460 0.1370 0.0330 0.9550
443.80 0.7280 0.1240 0.0240 0.9540
446.50 0.6960 0.1050 0.0250 0.9530
448.50 0.6090 0.0820 0.0250 0.9530
454.20 0.5420 0.0700 0.0250 0.9520
459.70 0.5160 0.0590 0.0270 0.9500
460.90 0.5130 0.0550 0.0240 0.9490
469.00 0.4500 0.0500 0.0320 0.9420
472.40 0.3850 0.0430 0.0320 0.9410
477.90 0.3320 0.0300 0.0420 0.9300
484.50 0.2850 0.0210 0.0480 0.9170
493.90 0.1450 0.0470 0.0570 0.6950
506.70 0.1050 0.0420 0.0630 0.5970
517.00 0.0800 0.0360 0.0640 0.5110
527.40 0.0590 0.0290 0.0600 0.4180
532.50 0.0490 0.0250 0.0570 0.3720
539.50 0.0380 0.0210 0.0510 0.3050

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 500 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Cyclohexene (2) - Liquid Mole fraction of Cyclohexanol (1) - Liquid Mole fraction of Cyclohexanol (1) - Gas Mole fraction of Cyclohexene (2) - Gas
427.60 0.8190 0.1720 0.0290 0.9700
433.90 0.8280 0.1640 0.0220 0.9680
434.70 0.8050 0.1470 0.0220 0.9680
435.80 0.7530 0.1410 0.0300 0.9580
439.80 0.7460 0.1370 0.0330 0.9550
443.80 0.7280 0.1240 0.0240 0.9540
446.50 0.6960 0.1050 0.0250 0.9530
448.50 0.6090 0.0820 0.0250 0.9530
454.20 0.5420 0.0700 0.0250 0.9520
459.70 0.5160 0.0590 0.0270 0.9500
460.90 0.5130 0.0550 0.0240 0.9490
469.00 0.4500 0.0500 0.0320 0.9420
472.40 0.3850 0.0430 0.0320 0.9410
477.90 0.3320 0.0300 0.0420 0.9300
484.50 0.2850 0.0210 0.0480 0.9170
493.90 0.1450 0.0470 0.0570 0.6950
506.70 0.1050 0.0420 0.0630 0.5970
517.00 0.0800 0.0360 0.0640 0.5110
527.40 0.0590 0.0290 0.0600 0.4180
532.50 0.0490 0.0250 0.0570 0.3720
539.50 0.0380 0.0210 0.0510 0.3050

Sources