Chemical Properties of 3(2H)-Furanone, dihydro-5-methyl- (CAS 34003-72-0)

InChI

InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3

InChI Key

YJZXJDJWRQIWDL-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1CC(=O)CO1

Molecular Weight¹

100.12

CAS

34003-72-0

Other Names

• 5-Methyldihydro-3(2H)-furanone
• 3(2H)-Furanone, 4,5-dihydro-5-methyl

• 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	0.3512		Relay (1.0) Calculated Property
ΔfG°	-180.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-315.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.13	kJ/mol	Joback Calculated Property
ΔvapH°	42.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	0.43		Relay (1.0) Calculated Property
logPoct/wat	0.364		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4492.23	kPa	Joback Calculated Property
Inp	[808.00; 822.00]
Inp	808.00		NIST
Inp	822.00		NIST
Tboil	408.84	K	Relay (1.0) Calculated Property
Tc	605.07	K	Relay (1.0) Calculated Property
Tfus	276.55	K	Relay (1.0) Calculated Property
Vc	0.279	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.05; 216.54]	J/mol×K	[423.85; 643.76]
Cp,gas	154.05	J/mol×K	423.85	Joback Calculated Property
Cp,gas	165.60	J/mol×K	460.50	Joback Calculated Property
Cp,gas	176.71	J/mol×K	497.15	Joback Calculated Property
Cp,gas	187.37	J/mol×K	533.80	Joback Calculated Property
Cp,gas	197.57	J/mol×K	570.45	Joback Calculated Property
Cp,gas	207.30	J/mol×K	607.10	Joback Calculated Property
Cp,gas	216.54	J/mol×K	643.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Furanone, dihydro-5-methyl-.

Sources

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

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