Chemical Properties of 3(2H)-Furanone, 4-methoxy-2,5-dimethyl- (CAS 4077-47-8)

InChI

InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3

InChI Key

SIMKGHMLPVDSJE-UHFFFAOYSA-N

Formula

C7H10O3

SMILES

COC1=C(C)OC(C)C1=O

Molecular Weight¹

142.15

CAS

4077-47-8

Other Names

• 2,5-Dimethyl-4-methoxy-3(2H)-furanone
• 2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone
• 2,5-Dimethyl 4-methoxy furan-3-one
• 3(2H)-Furanone, 2,5-dimethyl-4-methoxy
• Mesifuran
• Mesifurane
• 4-Methoxy-2,5-dimethyl-3(2H)-furanone
• 4-methoxy-2,5-dimethylfuran-3(2H)-one

• 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.
• 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
ω	0.4126		Relay (1.0) Calculated Property
ΔfG°	-258.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.94	kJ/mol	Joback Calculated Property
ΔvapH°	55.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-0.85		Relay (1.0) Calculated Property
logPoct/wat	0.852		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[1027.00; 1065.00]
Inp	1065.00		NIST
Inp	1065.00		NIST
Inp	1064.00		NIST
Inp	1027.00		NIST
Inp	1057.00		NIST
Inp	1056.00		NIST
Inp	1057.00		NIST
Inp	1051.00		NIST
Inp	1031.00		NIST
Inp	1031.00		NIST
Inp	1032.00		NIST
Inp	1055.00		NIST
I	[1554.00; 1625.00]
I	1584.00		NIST
I	1602.00		NIST
I	1580.00		NIST
I	1600.00		NIST
I	1556.00		NIST
I	1584.00		NIST
I	1561.00		NIST
I	1580.00		NIST
I	1604.00		NIST
I	1576.00		NIST
I	Outlier 1625.00		NIST
I	1554.00		NIST
I	1578.00		NIST
Tboil	457.24	K	Relay (1.0) Calculated Property
Tc	659.79	K	Relay (1.0) Calculated Property
Tfus	330.82	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.60; 307.63]	J/mol×K	[501.15; 717.78]
Cp,gas	241.60	J/mol×K	501.15	Joback Calculated Property
Cp,gas	253.67	J/mol×K	537.25	Joback Calculated Property
Cp,gas	265.35	J/mol×K	573.36	Joback Calculated Property
Cp,gas	276.62	J/mol×K	609.46	Joback Calculated Property
Cp,gas	287.44	J/mol×K	645.57	Joback Calculated Property
Cp,gas	297.79	J/mol×K	681.67	Joback Calculated Property
Cp,gas	307.63	J/mol×K	717.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.