Chemical Properties of 3,4-Dimethyl-5-pentylidene-2(5H)-furanone

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

CCCC/C=C1/OC(=O)C(C)=C1C

Molecular Weight¹

180.25

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.37	kJ/mol	Joback Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
I	[2163.00; 2191.00]
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
I	2179.00		NIST
I	2170.00		NIST
Tboil	524.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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