Chemical Properties of Tetra-t-butylperoxypyromellitate (CAS 63472-69-5)

InChI

InChI=1S/C26H38O12/c1-23(2,3)35-31-19(27)15-13-17(21(29)33-37-25(7,8)9)18(22(30)34-38-26(10,11)12)14-16(15)20(28)32-36-24(4,5)6/h13-14H,1-12H3

InChI Key

KOAKWBXPXOTXGD-UHFFFAOYSA-N

Formula

C26H38O12

SMILES

CC(C)(C)OOC(=O)c1cc(C(=O)OOC(C)(C)C)c(C(=O)OOC(C)(C)C)cc1C(=O)OOC(C)(C)C

Molecular Weight¹

542.57

CAS

63472-69-5

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.56; 1345.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.39900e+01
Coefficient B			2.24784e+00
Coefficient C			-1.08548e-03
Coefficient D			8.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	628.56	J/mol×K	273.00	Calculated Property
Cp,gas	757.31	J/mol×K	353.78	Calculated Property
Cp,gas	873.12	J/mol×K	434.56	Calculated Property
Cp,gas	976.29	J/mol×K	515.33	Calculated Property
Cp,gas	1067.08	J/mol×K	596.11	Calculated Property
Cp,gas	1145.79	J/mol×K	676.89	Calculated Property
Cp,gas	1212.68	J/mol×K	757.67	Calculated Property
Cp,gas	1268.06	J/mol×K	838.44	Calculated Property
Cp,gas	1312.18	J/mol×K	919.22	Calculated Property
Cp,gas	1345.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000095; 0.0000011]	Pa×s	[714.68; 984.52]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.94697e+01
Coefficient B			5.64764e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			714.68
Temperature range, max.			984.52
η	0.0000095	Pa×s	714.68	Calculated Property
η	0.0000069	Pa×s	744.66	Calculated Property
η	0.0000051	Pa×s	774.65	Calculated Property
η	0.0000039	Pa×s	804.63	Calculated Property
η	0.0000030	Pa×s	834.61	Calculated Property
η	0.0000024	Pa×s	864.59	Calculated Property
η	0.0000019	Pa×s	894.58	Calculated Property
η	0.0000016	Pa×s	924.56	Calculated Property
η	0.0000013	Pa×s	954.54	Calculated Property
η	0.0000011	Pa×s	984.52	Calculated Property

Similar Compounds

Find more compounds similar to Tetra-t-butylperoxypyromellitate.

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
• Joback Method
• McGowan Method
• NIST Webbook

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