Chemical Properties of 3-Ethyl-4-methyl-2,5-furandione (CAS 3552-33-8)

InChI

InChI=1S/C7H8O3/c1-3-5-4(2)6(8)10-7(5)9/h3H2,1-2H3

InChI Key

ZVUUAOZFEUKPLC-UHFFFAOYSA-N

Formula

C7H8O3

SMILES

CCC1=C(C)C(=O)OC1=O

Molecular Weight¹

140.14

CAS

3552-33-8

Other Names

• 3-Ethyl-4-methyl-2,5-furanedione

• 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 : 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	0.4365		Relay (1.0) Calculated Property
ΔfG°	-268.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-488.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.19	kJ/mol	Joback Calculated Property
ΔvapH°	59.77	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	-1.60		Relay (1.0) Calculated Property
logPoct/wat	0.796		Crippen Calculated Property
McVol	103.340	ml/mol	McGowan Calculated Property
Pc	3857.88	kPa	Joback Calculated Property
I	[1777.00; 1777.00]
I	1777.00		NIST
I	1777.00		NIST
I	1777.00		NIST
Tboil	508.46	K	Relay (1.0) Calculated Property
Tc	709.98	K	Relay (1.0) Calculated Property
Tfus	334.24	K	Relay (1.0) Calculated Property
Vc	0.377	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.44; 301.35]	J/mol×K	[551.22; 786.26]
Cp,gas	238.44	J/mol×K	551.22	Joback Calculated Property
Cp,gas	250.17	J/mol×K	590.39	Joback Calculated Property
Cp,gas	261.47	J/mol×K	629.57	Joback Calculated Property
Cp,gas	272.28	J/mol×K	668.74	Joback Calculated Property
Cp,gas	282.57	J/mol×K	707.91	Joback Calculated Property
Cp,gas	292.28	J/mol×K	747.08	Joback Calculated Property
Cp,gas	301.35	J/mol×K	786.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-4-methyl-2,5-furandione.

Sources

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

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