Mixture of Carbon dioxide + Vanillin + Vanillic acid

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Carbon dioxide

Name
Carbon dioxide
InChI
InChI=1S/CO2/c2-1-3
InChI Key
CURLTUGMZLYLDI-UHFFFAOYSA-N
Formula
CO2
SMILES
O=C=O
Mol. Weight (g/mol)
44.01
CAS
124-38-9

Vanillin

Name
Vanillin
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChI Key
MWOOGOJBHIARFG-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
COc1cc(C=O)ccc1O
Mol. Weight (g/mol)
152.15
CAS
121-33-5

Vanillic acid

Name
Vanillic acid
InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key
WKOLLVMJNQIZCI-UHFFFAOYSA-N
Formula
C8H8O4
SMILES
COc1cc(C(=O)O)ccc1O
Mol. Weight (g/mol)
168.15
CAS
121-34-6
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Datasets

  1. Mole fraction (4)

Mole fraction of Vanillin (2) [ref]

Fixed Measured
Temperature, K - Fluid (supercritical or subcritical phases) Pressure, kPa - Fluid (supercritical or subcritical phases) Mole fraction of Vanillin (2) - Fluid (supercritical or subcritical phases)
314.13 9510.00 0.0002
314.13 11230.00 0.0002
314.13 14610.00 0.0003
314.13 19990.00 0.0007
314.13 23990.00 0.0011
314.13 28770.00 0.0013
323.67 10060.00 0.0002
323.67 15270.00 0.0005
323.67 19980.00 0.0009
323.67 24800.00 0.0018
323.67 29990.00 0.0022
333.17 10690.00 0.0003
333.17 12740.00 0.0005
333.17 19530.00 0.0031
333.17 23820.00 0.0040
333.17 29630.00 0.0047

Mole fraction of Vanillic acid (3) [ref]

Fixed Measured
Temperature, K - Fluid (supercritical or subcritical phases) Pressure, kPa - Fluid (supercritical or subcritical phases) Mole fraction of Vanillic acid (3) - Fluid (supercritical or subcritical phases)
314.13 9510.00 8.2820e-07
314.13 11230.00 8.4950e-07
314.13 14610.00 9.3440e-07
314.13 19990.00 1.2550e-07
314.13 23990.00 2.0079e-06
314.13 28770.00 2.5567e-06
323.67 10060.00 4.2170e-07
323.67 15270.00 1.9350e-06
323.67 19980.00 4.0792e-06
323.67 24800.00 6.8655e-06
323.67 29990.00 8.6693e-06
333.17 10690.00 6.4600e-07
333.17 12740.00 3.9796e-06
333.17 19530.00 0.0000
333.17 23820.00 0.0000
333.17 29630.00 0.0000

Mole fraction of Vanillin (2) [ref]

Fixed Measured
Temperature, K - Fluid (supercritical or subcritical phases) Pressure, kPa - Fluid (supercritical or subcritical phases) Mole fraction of Vanillin (2) - Fluid (supercritical or subcritical phases)
314.13 9510.00 0.0002
314.13 11230.00 0.0002
314.13 14610.00 0.0003
314.13 19990.00 0.0007
314.13 23990.00 0.0011
314.13 28770.00 0.0013
323.67 10060.00 0.0002
323.67 15270.00 0.0005
323.67 19980.00 0.0009
323.67 24800.00 0.0018
323.67 29990.00 0.0022
333.17 10690.00 0.0003
333.17 12740.00 0.0005
333.17 19530.00 0.0031
333.17 23820.00 0.0040
333.17 29630.00 0.0047

Mole fraction of Vanillic acid (3) [ref]

Fixed Measured
Temperature, K - Fluid (supercritical or subcritical phases) Pressure, kPa - Fluid (supercritical or subcritical phases) Mole fraction of Vanillic acid (3) - Fluid (supercritical or subcritical phases)
314.13 9510.00 8.2820e-07
314.13 11230.00 8.4950e-07
314.13 14610.00 9.3440e-07
314.13 19990.00 1.2550e-07
314.13 23990.00 2.0079e-06
314.13 28770.00 2.5567e-06
323.67 10060.00 4.2170e-07
323.67 15270.00 1.9350e-06
323.67 19980.00 4.0792e-06
323.67 24800.00 6.8655e-06
323.67 29990.00 8.6693e-06
333.17 10690.00 6.4600e-07
333.17 12740.00 3.9796e-06
333.17 19530.00 0.0000
333.17 23820.00 0.0000
333.17 29630.00 0.0000

Sources