Chemical Properties of 3-Oxa-2,2,4-trimethyl-4-vinylcyclohexanone

InChI

InChI=1S/C11H16O2/c1-5-11(4)7-6-8(12)10(2,3)9(11)13/h5H,1,6-7H2,2-4H3

InChI Key

YLXCTKJCLZSLPF-UHFFFAOYSA-N

Formula

C11H16O2

SMILES

C=CC1(C)CCC(=O)C(C)(C)C1=O

Molecular Weight¹

180.24

• 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°	-109.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.88	kJ/mol	Joback Calculated Property
ΔfusH°	2.30	kJ/mol	Joback Calculated Property
ΔvapH°	45.72	kJ/mol	Joback Calculated Property
log10WS	-2.25		Crippen Calculated Property
logPoct/wat	2.137		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Inp	[1108.00; 1108.00]
Inp	1108.00		NIST
Inp	1108.00		NIST
Tboil	598.76	K	Joback Calculated Property
Tc	846.45	K	Joback Calculated Property
Tfus	399.35	K	Joback Calculated Property
Vc	0.575	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.94; 500.42]	J/mol×K	[598.76; 846.45]
Cp,gas	398.94	J/mol×K	598.76	Joback Calculated Property
Cp,gas	417.41	J/mol×K	640.04	Joback Calculated Property
Cp,gas	434.97	J/mol×K	681.32	Joback Calculated Property
Cp,gas	451.85	J/mol×K	722.61	Joback Calculated Property
Cp,gas	468.25	J/mol×K	763.89	Joback Calculated Property
Cp,gas	484.37	J/mol×K	805.17	Joback Calculated Property
Cp,gas	500.42	J/mol×K	846.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Oxa-2,2,4-trimethyl-4-vinylcyclohexanone.

Sources

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

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