Chemical Properties of thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

InChI

InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3

InChI Key

VFBJXXJYHWLXRM-UHFFFAOYSA-N

Formula

C38H58O6S

SMILES

CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

Molecular Weight¹

642.94

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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

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	[2211.74; 2827.90]	J/mol×K	[1511.80; 1928.56]
Cp,gas	2211.74	J/mol×K	1511.80	Joback Calculated Property
Cp,gas	2284.67	J/mol×K	1581.26	Joback Calculated Property
Cp,gas	2367.39	J/mol×K	1650.72	Joback Calculated Property
Cp,gas	2461.48	J/mol×K	1720.18	Joback Calculated Property
Cp,gas	2568.53	J/mol×K	1789.64	Joback Calculated Property
Cp,gas	2690.14	J/mol×K	1859.10	Joback Calculated Property
Cp,gas	2827.90	J/mol×K	1928.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate).

Mixtures

• Methyl Alcohol + thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
• Ethanol + thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
• 2-Propanol + thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
• 1-Propanol + thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
• 1-Propanol, 2-methyl- + thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
• 1-Butanol + thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

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
• Thermodynamic Properties of Polymorphs of 2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
• Joback Method
• McGowan Method

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