Chemical Properties of 9-tert-Butyl-1-oxaspiro[4.5]deca-6,9-dien-2,8-dione

InChI

InChI=1S/C13H16O3/c1-12(2,3)9-8-13(6-4-10(9)14)7-5-11(15)16-13/h4,6,8H,5,7H2,1-3H3

InChI Key

IUQXVAIQPMFIGU-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

CC(C)(C)C1=CC2(C=CC1=O)CCC(=O)O2

Molecular Weight¹

220.26

• 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°	-144.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.17	kJ/mol	Joback Calculated Property
ΔfusH°	11.57	kJ/mol	Joback Calculated Property
ΔvapH°	57.16	kJ/mol	Joback Calculated Property
log10WS	-2.77		Crippen Calculated Property
logPoct/wat	2.174		Crippen Calculated Property
McVol	172.720	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Inp	[1929.00; 1932.00]
Inp	1932.00		NIST
Inp	1929.00		NIST
Tboil	694.97	K	Joback Calculated Property
Tc	959.23	K	Joback Calculated Property
Tfus	465.68	K	Joback Calculated Property
Vc	0.640	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.23; 597.15]	J/mol×K	[694.97; 959.23]
Cp,gas	498.23	J/mol×K	694.97	Joback Calculated Property
Cp,gas	516.85	J/mol×K	739.01	Joback Calculated Property
Cp,gas	534.36	J/mol×K	783.06	Joback Calculated Property
Cp,gas	550.96	J/mol×K	827.10	Joback Calculated Property
Cp,gas	566.83	J/mol×K	871.14	Joback Calculated Property
Cp,gas	582.16	J/mol×K	915.18	Joback Calculated Property
Cp,gas	597.15	J/mol×K	959.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-tert-Butyl-1-oxaspiro[4.5]deca-6,9-dien-2,8-dione.

Sources

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

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