Chemical Properties of 4-methyl-2-tert-butyl-6-hydroperoxymethyl-phenol

InChI

InChI=1S/C12H18O3/c1-8-5-9(7-15-14)11(13)10(6-8)12(2,3)4/h5-6,13-14H,7H2,1-4H3

InChI Key

FBNSVMKLQJQJDC-UHFFFAOYSA-N

Formula

C12H18O3

SMILES

Cc1cc(COO)c(O)c(C(C)(C)C)c1

Molecular Weight¹

210.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-352.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-613.75	kJ/mol	Joback Calculated Property
ΔfusH°	28.61	kJ/mol	Joback Calculated Property
ΔvapH°	74.79	kJ/mol	Joback Calculated Property
log10WS	-3.09		Crippen Calculated Property
logPoct/wat	2.988		Crippen Calculated Property
McVol	173.790	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[1614.00; 1614.00]
Inp	1614.00		NIST
Inp	1614.00		NIST
Tboil	733.50	K	Joback Calculated Property
Tc	967.80	K	Joback Calculated Property
Tfus	551.20	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.50; 540.60]	J/mol×K	[733.50; 967.80]
Cp,gas	476.50	J/mol×K	733.50	Joback Calculated Property
Cp,gas	488.60	J/mol×K	772.55	Joback Calculated Property
Cp,gas	499.96	J/mol×K	811.60	Joback Calculated Property
Cp,gas	510.72	J/mol×K	850.65	Joback Calculated Property
Cp,gas	521.00	J/mol×K	889.70	Joback Calculated Property
Cp,gas	530.92	J/mol×K	928.75	Joback Calculated Property
Cp,gas	540.60	J/mol×K	967.80	Joback Calculated Property
η	[0.0000112; 0.0001018]	Pa×s	[551.20; 733.50]
η	0.0001018	Pa×s	551.20	Joback Calculated Property
η	0.0000640	Pa×s	581.58	Joback Calculated Property
η	0.0000422	Pa×s	611.97	Joback Calculated Property
η	0.0000289	Pa×s	642.35	Joback Calculated Property
η	0.0000205	Pa×s	672.73	Joback Calculated Property
η	0.0000149	Pa×s	703.12	Joback Calculated Property
η	0.0000112	Pa×s	733.50	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.