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).
• η : Dynamic viscosity (Pa×s).
• 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_p : 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°	26.45	kJ/mol	Joback Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
Ip	[2163.00; 2191.00]
Ip	2179.00		NIST
Ip	Outlier 2191.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST
Ip	2170.00		NIST
Ip	2174.00		NIST
Ip	2179.00		NIST
Ip	Outlier 2163.00		NIST
Ip	2173.00		NIST
Ip	2179.00		NIST
Ip	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.40; 496.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.59300e+00
Coefficient B			9.18960e-01
Coefficient C			-5.77300e-04
Coefficient D			1.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.40	J/mol×K	273.00	Calculated Property
Cp,gas	268.88	J/mol×K	353.78	Calculated Property
Cp,gas	311.85	J/mol×K	434.56	Calculated Property
Cp,gas	349.75	J/mol×K	515.33	Calculated Property
Cp,gas	383.05	J/mol×K	596.11	Calculated Property
Cp,gas	412.21	J/mol×K	676.89	Calculated Property
Cp,gas	437.70	J/mol×K	757.67	Calculated Property
Cp,gas	459.96	J/mol×K	838.44	Calculated Property
Cp,gas	479.45	J/mol×K	919.22	Calculated Property
Cp,gas	496.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014316; 0.0003506]	Pa×s	[314.40; 508.60]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.02337e+01
Coefficient B			1.15847e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			314.40
Temperature range, max.			508.60
η	0.0014316	Pa×s	314.40	Calculated Property
η	0.0011299	Pa×s	335.98	Calculated Property
η	0.0009176	Pa×s	357.56	Calculated Property
η	0.0007631	Pa×s	379.13	Calculated Property
η	0.0006473	Pa×s	400.71	Calculated Property
η	0.0005584	Pa×s	422.29	Calculated Property
η	0.0004887	Pa×s	443.87	Calculated Property
η	0.0004330	Pa×s	465.45	Calculated Property
η	0.0003878	Pa×s	487.02	Calculated Property
η	0.0003506	Pa×s	508.60	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

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