Chemical Properties of 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione (CAS 82304-66-3)

InChI

InChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3

InChI Key

ZTMZUYHXZPUDRF-UHFFFAOYSA-N

Formula

C17H24O3

SMILES

CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CCC(=O)O2

Molecular Weight¹

276.37

CAS

82304-66-3

Other Names

• 1-Oxa-spiro[4.5]deca-6,9-diene-2,8-dione, 7,9-di-tert-butyl-
• 7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione

• 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	0.4919		Relay (1.0) Calculated Property
ΔfG°	-117.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.12	kJ/mol	Joback Calculated Property
ΔvapH°	79.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	3.590		Crippen Calculated Property
McVol	229.080	ml/mol	McGowan Calculated Property
Pc	1938.95	kPa	Joback Calculated Property
Inp	[1916.80; 1929.00]
Inp	1929.00		NIST
Inp	1916.80		NIST
Inp	1916.80		NIST
Tboil	588.58	K	Relay (1.0) Calculated Property
Tc	820.31	K	Relay (1.0) Calculated Property
Tfus	406.23	K	Relay (1.0) Calculated Property
Vc	0.843	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.43; 834.24]	J/mol×K	[788.24; 1044.09]
Cp,gas	720.43	J/mol×K	788.24	Joback Calculated Property
Cp,gas	741.13	J/mol×K	830.88	Joback Calculated Property
Cp,gas	760.84	J/mol×K	873.52	Joback Calculated Property
Cp,gas	779.80	J/mol×K	916.16	Joback Calculated Property
Cp,gas	798.21	J/mol×K	958.81	Joback Calculated Property
Cp,gas	816.28	J/mol×K	1001.45	Joback Calculated Property
Cp,gas	834.24	J/mol×K	1044.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione.

Sources

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

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