Chemical Properties of (2R,5S)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-7-one (CAS 66514-42-9)

InChI

InChI=1S/C13H22O2/c1-9-5-8-13(15-9)10(2)11(14)6-7-12(13,3)4/h9-10H,5-8H2,1-4H3

InChI Key

UGLUSFJDQNOYMH-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CC1CCC2(O1)C(C)C(=O)CCC2(C)C

Molecular Weight¹

210.31

CAS

66514-42-9

• 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_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
ω	0.3972		Relay (1.0) Calculated Property
ΔfG°	-103.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-441.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.33	kJ/mol	Joback Calculated Property
ΔvapH°	65.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	2.949		Crippen Calculated Property
McVol	179.750	ml/mol	McGowan Calculated Property
Pc	2365.67	kPa	Joback Calculated Property
Inp	[1553.80; 1553.80]
Inp	1553.80		NIST
Inp	1553.80		NIST
Tboil	529.28	K	Relay (1.0) Calculated Property
Tc	754.06	K	Relay (1.0) Calculated Property
Tfus	376.07	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.45; 632.72]	J/mol×K	[613.31; 854.77]
Cp,gas	510.45	J/mol×K	613.31	Joback Calculated Property
Cp,gas	533.06	J/mol×K	653.55	Joback Calculated Property
Cp,gas	554.45	J/mol×K	693.80	Joback Calculated Property
Cp,gas	574.86	J/mol×K	734.04	Joback Calculated Property
Cp,gas	594.54	J/mol×K	774.28	Joback Calculated Property
Cp,gas	613.74	J/mol×K	814.52	Joback Calculated Property
Cp,gas	632.72	J/mol×K	854.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2R,5S)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-7-one.

Sources

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

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