Chemical Properties of dihydro-5-isopropyl-3(2H)-furanone

InChI

InChI=1S/C7H12O2/c1-5(2)6-3-4-7(8)9-6/h5-6H,3-4H2,1-2H3

InChI Key

XTFLBVQDKFPSCS-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

CC(C)C1CCC(=O)O1

Molecular Weight¹

128.17

• 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 : 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°	-166.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.31	kJ/mol	Joback Calculated Property
ΔfusH°	11.79	kJ/mol	Joback Calculated Property
ΔvapH°	39.80	kJ/mol	Joback Calculated Property
log10WS	-1.38		Crippen Calculated Property
logPoct/wat	1.348		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
Pc	3560.02	kPa	Joback Calculated Property
I	[1671.00; 1671.00]
I	1671.00		NIST
I	1671.00		NIST
Tboil	469.17	K	Joback Calculated Property
Tc	688.18	K	Joback Calculated Property
Tfus	259.34	K	Joback Calculated Property
Vc	0.391	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.44; 312.96]	J/mol×K	[469.17; 688.18]
Cp,gas	234.44	J/mol×K	469.17	Joback Calculated Property
Cp,gas	249.18	J/mol×K	505.67	Joback Calculated Property
Cp,gas	263.26	J/mol×K	542.17	Joback Calculated Property
Cp,gas	276.68	J/mol×K	578.68	Joback Calculated Property
Cp,gas	289.44	J/mol×K	615.18	Joback Calculated Property
Cp,gas	301.53	J/mol×K	651.68	Joback Calculated Property
Cp,gas	312.96	J/mol×K	688.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to dihydro-5-isopropyl-3(2H)-furanone.

Sources

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

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