Chemical Properties of 2(5H)-Furanone, 5,5-dimethyl- (CAS 20019-64-1)

InChI

InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3

InChI Key

YNKQMZRTPPVLLL-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1(C)C=CC(=O)O1

Molecular Weight¹

112.13

CAS

20019-64-1

Other Names

• 4,4-Dimethyl-2-buten-4-olide
• 4,4-Dimethyl-2-butenolide
• 4,4-Dimethylbut-2-enolide
• 5,5-Dimethyl-2(5H)-furanone
• 5,5-Dimethylbut-3-enolide
• 5,5-Dimethylfuran-2(5H)-one
• 4,4-Dimethylcrotonolactone

• 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	0.3323		Relay (1.0) Calculated Property
ΔfG°	-148.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-344.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.64	kJ/mol	Joback Calculated Property
ΔvapH°	54.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	-0.97		Relay (1.0) Calculated Property
logPoct/wat	0.878		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Pc	4403.25	kPa	Joback Calculated Property
Inp	[904.00; 962.10]
Inp	907.50		NIST
Inp	907.50		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	951.70		NIST
Inp	945.00		NIST
Inp	960.00		NIST
Inp	958.00		NIST
Inp	962.10		NIST
Inp	946.00		NIST
Inp	946.00		NIST
Inp	956.00		NIST
Inp	945.00		NIST
Inp	910.00		NIST
Inp	904.00		NIST
Inp	904.00		NIST
Inp	956.00		NIST
Inp	907.50		NIST
Inp	951.70		NIST
I	[1583.00; 1590.00]
I	1583.00		NIST
I	1583.00		NIST
I	1590.00		NIST
I	1587.00		NIST
I	1587.00		NIST
I	1590.00		NIST
Tboil	434.71	K	Relay (1.0) Calculated Property
Tc	600.38	K	Relay (1.0) Calculated Property
Tfus	263.32	K	Relay (1.0) Calculated Property
Vc	0.330	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.23; 239.35]	J/mol×K	[446.13; 675.56]
Cp,gas	179.23	J/mol×K	446.13	Joback Calculated Property
Cp,gas	191.02	J/mol×K	484.37	Joback Calculated Property
Cp,gas	201.97	J/mol×K	522.61	Joback Calculated Property
Cp,gas	212.19	J/mol×K	560.84	Joback Calculated Property
Cp,gas	221.76	J/mol×K	599.08	Joback Calculated Property
Cp,gas	230.78	J/mol×K	637.32	Joback Calculated Property
Cp,gas	239.35	J/mol×K	675.56	Joback Calculated Property

Similar Compounds

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