Chemical Properties of 3,4-Dimethyl-5-pentylidene-2(5H)-furanone (CAS 774-64-1)

InChI

InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+

InChI Key

MTQPZHNZYWAXEH-JXMROGBWSA-N

Formula

C11H16O2

SMILES

CCCCC=C1OC(=O)C(C)=C1C

Molecular Weight¹

180.24

CAS

774-64-1

Other Names

• bovolide
• 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene-

• 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).
• 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
ΔfG°	-66.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.38	kJ/mol	Joback Calculated Property
ΔfusH°	25.37	kJ/mol	Joback Calculated Property
ΔvapH°	51.81	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	Joback Calculated Property
I	[2163.00; 2191.00]
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2170.00		NIST
I	2179.00		NIST
I	Outlier 2191.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2170.00		NIST
I	2174.00		NIST
I	2179.00		NIST
I	Outlier 2163.00		NIST
I	2173.00		NIST
Tboil	581.56	K	Joback Calculated Property
Tc	793.40	K	Joback Calculated Property
Tfus	359.82	K	Joback Calculated Property
Vc	0.591	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.70; 457.43]	J/mol×K	[581.56; 793.40]
Cp,gas	378.70	J/mol×K	581.56	Joback Calculated Property
Cp,gas	393.57	J/mol×K	616.87	Joback Calculated Property
Cp,gas	407.72	J/mol×K	652.17	Joback Calculated Property
Cp,gas	421.18	J/mol×K	687.48	Joback Calculated Property
Cp,gas	433.95	J/mol×K	722.79	Joback Calculated Property
Cp,gas	446.03	J/mol×K	758.09	Joback Calculated Property
Cp,gas	457.43	J/mol×K	793.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethyl-5-pentylidene-2(5H)-furanone.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.