Chemical Properties of 2,6-di-t-Butyl-4-methylene-2,5-cyclohexadiene-1-one

InChI

InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3

InChI Key

JJQCWPWUHZFKBN-UHFFFAOYSA-N

Formula

C15H22O

SMILES

C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1

Molecular Weight¹

218.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	84.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-256.61	kJ/mol	Joback Calculated Property
ΔfusH°	10.56	kJ/mol	Joback Calculated Property
ΔvapH°	53.44	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	4.070		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Pc	1913.58	kPa	Joback Calculated Property
Inp	[1483.00; 1483.00]
Inp	1483.00		NIST
Inp	1483.00		NIST
Tboil	635.62	K	Joback Calculated Property
Tc	864.44	K	Joback Calculated Property
Tfus	383.73	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[534.62; 632.82]	J/mol×K	[635.62; 864.44]
Cp,gas	534.62	J/mol×K	635.62	Joback Calculated Property
Cp,gas	554.02	J/mol×K	673.76	Joback Calculated Property
Cp,gas	572.13	J/mol×K	711.89	Joback Calculated Property
Cp,gas	589.01	J/mol×K	750.03	Joback Calculated Property
Cp,gas	604.72	J/mol×K	788.17	Joback Calculated Property
Cp,gas	619.30	J/mol×K	826.30	Joback Calculated Property
Cp,gas	632.82	J/mol×K	864.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-di-t-Butyl-4-methylene-2,5-cyclohexadiene-1-one.

Sources

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

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