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

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Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

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 0.0003
293.15 0.0300 0.0002
293.15 0.0500 0.0001
298.15 0.0000 0.0004
298.15 0.0300 0.0003
298.15 0.0500 0.0002
303.15 0.0000 0.0007
303.15 0.0300 0.0004
303.15 0.0500 0.0003
308.15 0.0000 0.0011
308.15 0.0300 0.0006
308.15 0.0500 0.0004
313.15 0.0000 0.0016
313.15 0.0300 0.0008
313.15 0.0500 0.0007
318.15 0.0000 0.0024
318.15 0.0300 0.0012
318.15 0.0500 0.0010
323.15 0.0000 0.0035
323.15 0.0300 0.0017
323.15 0.0500 0.0015
328.15 0.0000 0.0051
328.15 0.0300 0.0027
328.15 0.0500 0.0022
333.15 0.0000 0.0074
333.15 0.0300 0.0040
333.15 0.0500 0.0031

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 0.0003
293.15 0.0300 0.0002
293.15 0.0500 0.0001
298.15 0.0000 0.0004
298.15 0.0300 0.0003
298.15 0.0500 0.0002
303.15 0.0000 0.0007
303.15 0.0300 0.0004
303.15 0.0500 0.0003
308.15 0.0000 0.0011
308.15 0.0300 0.0006
308.15 0.0500 0.0004
313.15 0.0000 0.0016
313.15 0.0300 0.0008
313.15 0.0500 0.0007
318.15 0.0000 0.0024
318.15 0.0300 0.0012
318.15 0.0500 0.0010
323.15 0.0000 0.0035
323.15 0.0300 0.0017
323.15 0.0500 0.0015
328.15 0.0000 0.0051
328.15 0.0300 0.0027
328.15 0.0500 0.0022
333.15 0.0000 0.0074
333.15 0.0300 0.0040
333.15 0.0500 0.0031

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