Chemical Properties of 3,4-Dimethyl-5-pentyl-5H-furan-2-one

InChI

InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3

InChI Key

LRKURLXWGJNWOJ-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

CCCCCC1OC(=O)C(C)=C1C

Molecular Weight¹

182.26

Other Names

• 2,3-Dimethyl-2-nonen-4-olide

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.19	kJ/mol	Joback Calculated Property
ΔvapH°	70.59	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.828		Crippen Calculated Property
McVol	158.130	ml/mol	McGowan Calculated Property
I	[2195.00; 2206.00]
I	2195.00		NIST
I	2206.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[230.36; 537.29]	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			4.43400e+00
Coefficient B			9.69960e-01
Coefficient C			-5.53400e-04
Coefficient D			1.16300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.36	J/mol×K	273.00	Calculated Property
Cp,gas	283.47	J/mol×K	353.78	Calculated Property
Cp,gas	330.98	J/mol×K	434.56	Calculated Property
Cp,gas	373.24	J/mol×K	515.33	Calculated Property
Cp,gas	410.62	J/mol×K	596.11	Calculated Property
Cp,gas	443.50	J/mol×K	676.89	Calculated Property
Cp,gas	472.24	J/mol×K	757.67	Calculated Property
Cp,gas	497.21	J/mol×K	838.44	Calculated Property
Cp,gas	518.77	J/mol×K	919.22	Calculated Property
Cp,gas	537.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016088; 0.0004171]	Pa×s	[299.80; 496.43]	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			-9.84055e+00
Coefficient B			1.02180e+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.			299.80
Temperature range, max.			496.43
η	0.0016088	Pa×s	299.80	Calculated Property
η	0.0012763	Pa×s	321.65	Calculated Property
η	0.0010428	Pa×s	343.50	Calculated Property
η	0.0008729	Pa×s	365.34	Calculated Property
η	0.0007454	Pa×s	387.19	Calculated Property
η	0.0006474	Pa×s	409.04	Calculated Property
η	0.0005704	Pa×s	430.89	Calculated Property
η	0.0005087	Pa×s	452.73	Calculated Property
η	0.0004585	Pa×s	474.58	Calculated Property
η	0.0004171	Pa×s	496.43	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethyl-5-pentyl-5H-furan-2-one.

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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