Mixture of Methyl Alcohol + Water + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]

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Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1

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

Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]

Name
Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
InChI
InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3
InChI Key
BGYHLZZASRKEJE-UHFFFAOYSA-N
Formula
C73H108O12
SMILES
CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
Mol. Weight (g/mol)
1177.63
CAS
6683-19-8
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Datasets

  1. Mass fraction (2)

Mass fraction of Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate] (3) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (2) - Liquid Mass fraction of Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate] (3) - Liquid
293.15 0.0000 0.0002
293.15 0.0300 0.0001
293.15 0.0500 0.0416
298.15 0.0000 0.0003
298.15 0.0300 0.0002
298.15 0.0500 0.0619
303.15 0.0000 0.0005
303.15 0.0300 0.0003
303.15 0.0500 0.0927
308.15 0.0000 0.0008
308.15 0.0300 0.0004
308.15 0.0500 0.1314
313.15 0.0000 0.0013
313.15 0.0300 0.0006
313.15 0.0500 0.2058
318.15 0.0000 0.0020
318.15 0.0300 0.0010
318.15 0.0500 0.3194
323.15 0.0000 0.0029
323.15 0.0300 0.0015
323.15 0.0500 0.4504
328.15 0.0000 0.0043
328.15 0.0300 0.0023
328.15 0.0500 0.6692
333.15 0.0000 0.0073
333.15 0.0300 0.0033
333.15 0.0500 0.9166

Mass fraction of Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate] (3) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (2) - Liquid Mass fraction of Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate] (3) - Liquid
293.15 0.0000 0.0002
293.15 0.0300 0.0001
293.15 0.0500 0.0416
298.15 0.0000 0.0003
298.15 0.0300 0.0002
298.15 0.0500 0.0619
303.15 0.0000 0.0005
303.15 0.0300 0.0003
303.15 0.0500 0.0927
308.15 0.0000 0.0008
308.15 0.0300 0.0004
308.15 0.0500 0.1314
313.15 0.0000 0.0013
313.15 0.0300 0.0006
313.15 0.0500 0.2058
318.15 0.0000 0.0020
318.15 0.0300 0.0010
318.15 0.0500 0.3194
323.15 0.0000 0.0029
323.15 0.0300 0.0015
323.15 0.0500 0.4504
328.15 0.0000 0.0043
328.15 0.0300 0.0023
328.15 0.0500 0.6692
333.15 0.0000 0.0073
333.15 0.0300 0.0033
333.15 0.0500 0.9166

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