Chemical Properties of 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

Molecular Weight¹

1177.66

Other Names

• ADK Stab AO 60
• AO 60
• Anox 20
• Anox 20AM
• BP 101
• Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester
• Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester
• Dovernox 10
• Fenozan 22
• Fenozan 23
• Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, neopentanetetrayl ester
• Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, tetraester with pentaerythritol
• IR 1010
• Irganox 1010FF
• Irganox 1040
• Lowinox PP35
• MARK AO 60
• Naugard 10
• Neopentanetetrayl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
• Pentaerythritol, tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
• Pentaerythrityl tetrakis-3-(3',5'-di-t-butyl-4'-hydroxyphenyl)propionate
• Phenosane 23
• RA 1010
• Ralox 630
• Sumilizer BP 101
• Tetraalkofen BPE
• Tetrakis [methylene (3,5-di-t-butyl-4-hydroxyhydrocinnamate)] methane
• Tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamoyloxymethyl)methane
• Tetrakis[methylene(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)methane]
• irganox 1010
• pentaerythritol tetra(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
• pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
• tetrakis[methylene-3-(3,5-di-tert-butyl-4-hydroxyphenylpropionate]methane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	[65.95; 65.95]	kJ/mol
ΔfusH°	65.95	kJ/mol	Solubility of antioxidant 1010 in pure alkanols
ΔfusH°	65.95	kJ/mol	Measurement and correlation of solid-liquid equilibria of Irganox 1010 with n-hexane
logPoct/wat	15.879		Crippen Calculated Property
McVol	997.630	ml/mol	McGowan Calculated Property
Tfus	449.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[11392.06; 1387075.69]	J/mol×K	[2614.77; 10442.39]
Cp,gas	11392.06	J/mol×K	2614.77	Joback Calculated Property
Cp,gas	44882.05	J/mol×K	3919.37	Joback Calculated Property
Cp,gas	126766.92	J/mol×K	5223.98	Joback Calculated Property
Cp,gas	279487.68	J/mol×K	6528.58	Joback Calculated Property
Cp,gas	525485.38	J/mol×K	7833.19	Joback Calculated Property
Cp,gas	887201.04	J/mol×K	9137.79	Joback Calculated Property
Cp,gas	1387075.69	J/mol×K	10442.39	Joback Calculated Property
η	[0.0000000; 0.0000000]	Pa×s	[1875.61; 2614.77]
η	0.0000000	Pa×s	1875.61	Joback Calculated Property
η	0.0000000	Pa×s	1998.80	Joback Calculated Property
η	0.0000000	Pa×s	2122.00	Joback Calculated Property
η	0.0000000	Pa×s	2245.19	Joback Calculated Property
η	0.0000000	Pa×s	2368.38	Joback Calculated Property
η	0.0000000	Pa×s	2491.58	Joback Calculated Property
η	0.0000000	Pa×s	2614.77	Joback Calculated Property
ΔfusH	65.95	kJ/mol	385.80	NIST

Similar Compounds

Find more compounds similar to Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate].

Mixtures

• n-Hexane + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• Methyl Alcohol + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• Ethanol + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• 1-Propanol + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• 2-Propanol + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• 1-Butanol + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• 1-Propanol, 2-methyl- + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• Methyl Alcohol + Water + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• Ethanol + Water + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]
• 2-Propanol + Water + Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility of antioxidant 1010 in pure alkanols
• Measurement and correlation of solid-liquid equilibria of Irganox 1010 with n-hexane
• Solubility of Irganox 1010 in (Alcohol + Water) Mixtures from (293.15 to 333.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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