Chemical Properties of Butopyronoxyl (CAS 532-34-3)

InChI

InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3

InChI Key

OKIJSNGRQAOIGZ-UHFFFAOYSA-N

Formula

C12H18O4

SMILES

CCCCOC(=O)C1=CC(=O)CC(C)(C)O1

Molecular Weight¹

226.27

CAS

532-34-3

Other Names

• 2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, butyl ester
• BMOO
• Indalone
• «alpha»,«alpha»-Dimethyl-«alpha»'-carbobutoxy-dihydro-«gamma»-pyrone
• n-Butyl ester of 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
• Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-1-2H-pyran-6-carboxylate
• Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate
• Butyldimethyldihydro-«gamma»-pyrone carboxylate
• ENT 9
• 2-Carbo-n-butoxy-6,6-dimethyl-5,6-dihydro-1,4-pyrone
• 2,2-Dimethyl-6-carbobutoxy-2,3-dihydro-4-pyrone
• 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, n-butyl ester
• Butyl mesityl oxide oxalate
• NSC 404420
• 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, butyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.16; 584.99]	J/mol×K	[668.95; 889.10]
Cp,gas	497.16	J/mol×K	668.95	Joback Calculated Property
Cp,gas	513.47	J/mol×K	705.64	Joback Calculated Property
Cp,gas	529.02	J/mol×K	742.33	Joback Calculated Property
Cp,gas	543.87	J/mol×K	779.02	Joback Calculated Property
Cp,gas	558.11	J/mol×K	815.72	Joback Calculated Property
Cp,gas	571.79	J/mol×K	852.41	Joback Calculated Property
Cp,gas	584.99	J/mol×K	889.10	Joback Calculated Property
ΔvapH	64.70	kJ/mol	396.00	NIST

Similar Compounds

Find more compounds similar to Butopyronoxyl.

Sources

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

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