Chemical Properties of 2,5-Dimethyl-4-butoxy-3(2H)furanone

InChI

InChI=1S/C10H16O3/c1-4-5-6-12-10-8(3)13-7(2)9(10)11/h7H,4-6H2,1-3H3

InChI Key

SQHHYGNRSINKBH-UHFFFAOYSA-N

Formula

C10H16O3

SMILES

CCCCOC1=C(C)OC(C)C1=O

Molecular Weight¹

184.23

Other Names

• 3(2H)-Furanone, 2,5-dimethyl-4-butoxy

• 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°	-233.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.33	kJ/mol	Joback Calculated Property
ΔfusH°	24.71	kJ/mol	Joback Calculated Property
ΔvapH°	50.89	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.022		Crippen Calculated Property
McVol	149.910	ml/mol	McGowan Calculated Property
Pc	2543.05	kPa	Joback Calculated Property
Inp	[1260.00; 1260.00]
Inp	1260.00		NIST
Inp	1260.00		NIST
Tboil	569.79	K	Joback Calculated Property
Tc	776.24	K	Joback Calculated Property
Tfus	356.18	K	Joback Calculated Property
Vc	0.569	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[377.50; 459.27]	J/mol×K	[569.79; 776.24]
Cp,gas	377.50	J/mol×K	569.79	Joback Calculated Property
Cp,gas	392.77	J/mol×K	604.20	Joback Calculated Property
Cp,gas	407.41	J/mol×K	638.61	Joback Calculated Property
Cp,gas	421.40	J/mol×K	673.02	Joback Calculated Property
Cp,gas	434.71	J/mol×K	707.43	Joback Calculated Property
Cp,gas	447.34	J/mol×K	741.83	Joback Calculated Property
Cp,gas	459.27	J/mol×K	776.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-4-butoxy-3(2H)furanone.

Sources

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

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