Chemical Properties of 2(5H)-Furanone, 5-methyl- (CAS 591-11-7)

InChI

InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3

InChI Key

BGLUXFNVVSVEET-UHFFFAOYSA-N

Formula

C5H6O2

SMILES

CC1C=CC(=O)O1

Molecular Weight¹

98.10

CAS

591-11-7

Other Names

• «beta»-Angelica lactone
• «alpha»,«beta»-Angelica lactone
• «DELTA»1-Angelica lactone
• «gamma»-Methyl-«delta»,«alpha»,«beta»-butenolide
• 2-Penten-4-olide
• 2-Pentenoic acid, 4-hydroxy-, «gamma»-lactone
• 4-Hydroxy-2-pentenoic acid «gamma»-lactone
• 5-Methyl-2(5H)-furanone
• «gamma»-Methyl-«alpha»,«beta»-crotonolactone
• 4-Hydroxypent-2-enoic acid lactone
• 5-Methyl-5H-furan-2-one
• 4-Methyl-2-buten-4-olide
• NSC 655
• 4-methyl-2-butenoic acid «gamma»-lactone
• 5-Methyl-2(5H)-furanone («beta»-angelica lactone)
• Pent-2-en-4-olide
• 5-methylfuran-2(5H)-one

• 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).
• I_np : Non-polar retention indices.
• 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°	-150.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.97	kJ/mol	Joback Calculated Property
ΔfusH°	11.35	kJ/mol	Joback Calculated Property
ΔvapH°	36.03	kJ/mol	Joback Calculated Property
IE	10.12 ± 0.05	eV	NIST
log10WS	-0.64		Crippen Calculated Property
logPoct/wat	0.488		Crippen Calculated Property
McVol	73.590	ml/mol	McGowan Calculated Property
Pc	4717.12	kPa	Joback Calculated Property
Inp	[914.00; 954.00]
Inp	914.00		NIST
Inp	917.00		NIST
Inp	938.00		NIST
Inp	934.00		NIST
Inp	934.00		NIST
Inp	954.00		NIST
Inp	946.00		NIST
Inp	951.00		NIST
Inp	934.00		NIST
Inp	951.00		NIST
Inp	938.00		NIST
I	[1635.00; 1673.00]
I	1635.00		NIST
I	1642.00		NIST
I	1658.00		NIST
I	1669.00		NIST
I	1669.00		NIST
I	1669.00		NIST
I	1664.00		NIST
I	1673.00		NIST
I	1635.00		NIST
I	1658.00		NIST
Tboil	423.01	K	Joback Calculated Property
Tc	645.30	K	Joback Calculated Property
Tfus	252.56	K	Joback Calculated Property
Vc	0.271	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.46; 194.99]	J/mol×K	[423.01; 645.30]
Cp,gas	140.46	J/mol×K	423.01	Joback Calculated Property
Cp,gas	150.58	J/mol×K	460.06	Joback Calculated Property
Cp,gas	160.30	J/mol×K	497.11	Joback Calculated Property
Cp,gas	169.61	J/mol×K	534.16	Joback Calculated Property
Cp,gas	178.50	J/mol×K	571.20	Joback Calculated Property
Cp,gas	186.96	J/mol×K	608.25	Joback Calculated Property
Cp,gas	194.99	J/mol×K	645.30	Joback Calculated Property
ΔvapH	48.20	kJ/mol	418.50	NIST

Similar Compounds

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

Sources

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

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