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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.14; 455.47]	J/mol×K	[525.36; 709.18]
Cp,gas	378.14	J/mol×K	525.36	Joback Calculated Property
Cp,gas	392.64	J/mol×K	556.00	Joback Calculated Property
Cp,gas	406.48	J/mol×K	586.63	Joback Calculated Property
Cp,gas	419.66	J/mol×K	617.27	Joback Calculated Property
Cp,gas	432.20	J/mol×K	647.91	Joback Calculated Property
Cp,gas	444.13	J/mol×K	678.55	Joback Calculated Property
Cp,gas	455.47	J/mol×K	709.18	Joback Calculated Property
η	[0.0003724; 0.0016088]	Pa×s	[299.80; 525.36]
η	0.0016088	Pa×s	299.80	Joback Calculated Property
η	0.0011004	Pa×s	337.39	Joback Calculated Property
η	0.0008123	Pa×s	374.99	Joback Calculated Property
η	0.0006337	Pa×s	412.58	Joback Calculated Property
η	0.0005153	Pa×s	450.17	Joback Calculated Property
η	0.0004326	Pa×s	487.77	Joback Calculated Property
η	0.0003724	Pa×s	525.36	Joback 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

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.
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