Chemical Properties of 4-sec-Butyl-2-tert-butyl-6-hydroperoxymethyl-phenol

InChI

InChI=1S/C15H24O3/c1-6-10(2)11-7-12(9-18-17)14(16)13(8-11)15(3,4)5/h7-8,10,16-17H,6,9H2,1-5H3

InChI Key

HVMLPRKOWGHNKO-UHFFFAOYSA-N

Formula

C15H24O3

SMILES

CCC(C)c1cc(COO)c(O)c(C(C)(C)C)c1

Molecular Weight¹

252.35

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.99	kJ/mol	Joback Calculated Property
logPoct/wat	4.193		Crippen Calculated Property
McVol	216.060	ml/mol	McGowan Calculated Property
Inp	[1753.00; 1753.00]
Inp	1753.00		NIST
Inp	1753.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.55; 730.18]	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			-2.03380e+01
Coefficient B			1.48810e+00
Coefficient C			-1.04008e-03
Coefficient D			3.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.55	J/mol×K	273.00	Calculated Property
Cp,gas	389.34	J/mol×K	353.78	Calculated Property
Cp,gas	454.74	J/mol×K	434.56	Calculated Property
Cp,gas	511.72	J/mol×K	515.33	Calculated Property
Cp,gas	561.22	J/mol×K	596.11	Calculated Property
Cp,gas	604.21	J/mol×K	676.89	Calculated Property
Cp,gas	641.65	J/mol×K	757.67	Calculated Property
Cp,gas	674.49	J/mol×K	838.44	Calculated Property
Cp,gas	703.68	J/mol×K	919.22	Calculated Property
Cp,gas	730.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001340; 0.0000038]	Pa×s	[492.46; 682.84]	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			-2.16832e+01
Coefficient B			6.28656e+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.			492.46
Temperature range, max.			682.84
η	0.0001340	Pa×s	492.46	Calculated Property
η	0.0000792	Pa×s	513.61	Calculated Property
η	0.0000488	Pa×s	534.77	Calculated Property
η	0.0000312	Pa×s	555.92	Calculated Property
η	0.0000206	Pa×s	577.07	Calculated Property
η	0.0000140	Pa×s	598.23	Calculated Property
η	0.0000098	Pa×s	619.38	Calculated Property
η	0.0000070	Pa×s	640.53	Calculated Property
η	0.0000051	Pa×s	661.68	Calculated Property
η	0.0000038	Pa×s	682.84	Calculated Property

Similar Compounds

Find more compounds similar to 4-sec-Butyl-2-tert-butyl-6-hydroperoxymethyl-phenol.

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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