Chemical Properties of 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, cis- (CAS 13080-29-0)

InChI

InChI=1S/C10H16O2/c1-7-4-5-10(8(11)6-7)9(2,3)12-10/h7H,4-6H2,1-3H3

InChI Key

OFUGTKAUAMKFPM-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC1CCC2(OC2(C)C)C(=O)C1

Molecular Weight¹

168.23

CAS

13080-29-0

Other Names

• p-Menthan-3-one, 4,8-epoxy-, trans-
• trans-Pulegone Oxide
• 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, (3R,6R)-rel-
• 2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one, cis

• 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°	-96.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.01	kJ/mol	Joback Calculated Property
ΔfusH°	9.69	kJ/mol	Joback Calculated Property
ΔvapH°	44.17	kJ/mol	Joback Calculated Property
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	1.923		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1237.00; 1237.00]
Inp	1237.00		NIST
Inp	1237.00		NIST
Tboil	540.80	K	Joback Calculated Property
Tc	780.01	K	Joback Calculated Property
Tfus	369.65	K	Joback Calculated Property
Vc	0.516	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.06; 451.60]	J/mol×K	[540.80; 780.01]
Cp,gas	356.06	J/mol×K	540.80	Joback Calculated Property
Cp,gas	374.39	J/mol×K	580.67	Joback Calculated Property
Cp,gas	391.40	J/mol×K	620.54	Joback Calculated Property
Cp,gas	407.37	J/mol×K	660.41	Joback Calculated Property
Cp,gas	422.55	J/mol×K	700.27	Joback Calculated Property
Cp,gas	437.20	J/mol×K	740.14	Joback Calculated Property
Cp,gas	451.60	J/mol×K	780.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, cis-.

Sources

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

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