Chemical Properties of 2,6,6-trimethyl-2-vinyltetrahydropyran-3-one

InChI

InChI=1S/C10H16O2/c1-5-10(4)8(11)6-7-9(2,3)12-10/h5H,1,6-7H2,2-4H3

InChI Key

CISPSXPKLLDNCN-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

C=CC1(C)OC(C)(C)CCC1=O

Molecular Weight¹

168.23

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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 : 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
ω	0.3292		Relay (... Calculated Property
ΔfG°	-81.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.49	kJ/mol	Relay (... Calculated Property
ΔfusH°	8.17	kJ/mol	Joback Calculated Property
ΔvapH°	52.00	kJ/mol	Relay (... Calculated Property
IE	8.72	eV	Relay (... Calculated Property
log10WS	-1.10		Relay (... Calculated Property
logPoct/wat	2.089		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2928.17	kPa	Joback Calculated Property
I	[1434.00; 1478.00]
I	1434.00		NIST
I	1478.00		NIST
I	1434.00		NIST
I	1435.00		NIST
I	1478.00		NIST
Tboil	461.79	K	Relay (... Calculated Property
Tc	669.85	K	Relay (... Calculated Property
Tfus	280.00	K	Relay (... Calculated Property
Vc	0.507	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.47; 444.63]	J/mol×K	[535.01; 770.10]
Cp,gas	351.47	J/mol×K	535.01	Joback Calculated Property
Cp,gas	369.18	J/mol×K	574.19	Joback Calculated Property
Cp,gas	385.73	J/mol×K	613.37	Joback Calculated Property
Cp,gas	401.35	J/mol×K	652.56	Joback Calculated Property
Cp,gas	416.23	J/mol×K	691.74	Joback Calculated Property
Cp,gas	430.58	J/mol×K	730.92	Joback Calculated Property
Cp,gas	444.63	J/mol×K	770.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6,6-trimethyl-2-vinyltetrahydropyran-3-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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