Chemical Properties of Tetra-t-amylperoxypyromellitate

InChI

InChI=1S/C30H46O12/c1-13-27(5,6)39-35-23(31)19-17-21(25(33)37-41-29(9,10)15-3)22(26(34)38-42-30(11,12)16-4)18-20(19)24(32)36-40-28(7,8)14-2/h17-18H,13-16H2,1-12H3

InChI Key

BMLIINUSXIWIJB-UHFFFAOYSA-N

Formula

C30H46O12

SMILES

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

Molecular Weight¹

598.69

• 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	[713.42; 1551.71]	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			9.03540e+01
Coefficient B			2.62784e+00
Coefficient C			-1.30308e-03
Coefficient D			1.36600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	713.42	J/mol×K	273.00	Calculated Property
Cp,gas	862.98	J/mol×K	353.78	Calculated Property
Cp,gas	997.43	J/mol×K	434.56	Calculated Property
Cp,gas	1117.21	J/mol×K	515.33	Calculated Property
Cp,gas	1222.73	J/mol×K	596.11	Calculated Property
Cp,gas	1314.43	J/mol×K	676.89	Calculated Property
Cp,gas	1392.75	J/mol×K	757.67	Calculated Property
Cp,gas	1458.12	J/mol×K	838.44	Calculated Property
Cp,gas	1510.96	J/mol×K	919.22	Calculated Property
Cp,gas	1551.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000048; 0.0000005]	Pa×s	[759.76; 1080.11]	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			-2.01673e+01
Coefficient B			6.02428e+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.			759.76
Temperature range, max.			1080.11
η	0.0000048	Pa×s	759.76	Calculated Property
η	0.0000034	Pa×s	795.35	Calculated Property
η	0.0000025	Pa×s	830.95	Calculated Property
η	0.0000018	Pa×s	866.54	Calculated Property
η	0.0000014	Pa×s	902.14	Calculated Property
η	0.0000011	Pa×s	937.73	Calculated Property
η	0.0000009	Pa×s	973.32	Calculated Property
η	0.0000007	Pa×s	1008.92	Calculated Property
η	0.0000006	Pa×s	1044.51	Calculated Property
η	0.0000005	Pa×s	1080.11	Calculated Property

Similar Compounds

Find more compounds similar to Tetra-t-amylperoxypyromellitate.

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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