Chemical Properties of 3(2H)-FURANONE, 5-METHYL-2-OCTYL-

InChI

InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3

InChI Key

ZLLDSWALGJWTSW-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CCCCCCCCC1OC(C)=CC1=O

Molecular Weight¹

210.32

Other Names

• 2,3-Dihydro-2-n-octyl-5-methyl-furan-3-one
• 2,3-Dihydro-5-methyl-2-n-octylfuran-3-one
• 2H-Furan-3-one, 5-methyl-2-octyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-454.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.68	kJ/mol	Joback Calculated Property
ΔvapH°	75.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
logPoct/wat	3.609		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Inp	[1619.00; 1652.80]
Inp	1626.00		NIST
Inp	1626.00		NIST
Inp	1631.00		NIST
Inp	1622.00		NIST
Inp	1619.00		NIST
Inp	1652.80		NIST
Inp	1652.80		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[267.84; 657.62]	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			6.41700e+00
Coefficient B			1.08374e+00
Coefficient C			-4.73140e-04
Coefficient D			4.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.84	J/mol×K	273.00	Calculated Property
Cp,gas	332.40	J/mol×K	353.78	Calculated Property
Cp,gas	391.35	J/mol×K	434.56	Calculated Property
Cp,gas	444.81	J/mol×K	515.33	Calculated Property
Cp,gas	492.92	J/mol×K	596.11	Calculated Property
Cp,gas	535.80	J/mol×K	676.89	Calculated Property
Cp,gas	573.58	J/mol×K	757.67	Calculated Property
Cp,gas	606.39	J/mol×K	838.44	Calculated Property
Cp,gas	634.36	J/mol×K	919.22	Calculated Property
Cp,gas	657.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-FURANONE, 5-METHYL-2-OCTYL-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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