Chemical Properties of 4-(2,2,6-Trimethyl-1-oxaspiro[4.4]non-6-en-3-yl)-butan-2-one

InChI

InChI=1S/C15H24O2/c1-11-6-5-9-15(11)10-13(8-7-12(2)16)14(3,4)17-15/h6,13H,5,7-10H2,1-4H3/t13-,15-/m1/s1

InChI Key

WIQUMZFHDBZVSM-UKRRQHHQSA-N

Formula

C15H24O2

SMILES

CC(=O)CCC1CC2(CCC=C2C)OC1(C)C

Molecular Weight¹

236.35

Other Names

• Taylofuran

• 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°	-52.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-413.94	kJ/mol	Joback Calculated Property
ΔfusH°	23.46	kJ/mol	Joback Calculated Property
ΔvapH°	58.92	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.650		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	2083.12	kPa	Joback Calculated Property
Inp	[1634.00; 1634.00]
Inp	1634.00		NIST
Inp	1634.00		NIST
Tboil	649.66	K	Joback Calculated Property
Tc	871.67	K	Joback Calculated Property
Tfus	417.47	K	Joback Calculated Property
Vc	0.773	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.28; 688.55]	J/mol×K	[649.66; 871.67]
Cp,gas	579.28	J/mol×K	649.66	Joback Calculated Property
Cp,gas	598.94	J/mol×K	686.66	Joback Calculated Property
Cp,gas	617.70	J/mol×K	723.66	Joback Calculated Property
Cp,gas	635.79	J/mol×K	760.67	Joback Calculated Property
Cp,gas	653.47	J/mol×K	797.67	Joback Calculated Property
Cp,gas	670.97	J/mol×K	834.67	Joback Calculated Property
Cp,gas	688.55	J/mol×K	871.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2,2,6-Trimethyl-1-oxaspiro[4.4]non-6-en-3-yl)-butan-2-one.

Sources

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

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