Chemical Properties of 5-[( Z)-Hexylidene]-5H-furan-2-one

InChI

InChI=1S/C10H14O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,2-5H2,1H3/b9-6-

InChI Key

LKGMDECKNNDYSC-TWGQIWQCSA-N

Formula

C10H14O2

SMILES

CCCCCC=C1C=CC(=O)O1

Molecular Weight¹

166.22

• 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_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.63	kJ/mol	Joback Calculated Property
logPoct/wat	2.564		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Inp	1381.00		NIST
I	[2120.00; 2120.00]
I	2120.00		NIST
I	2120.00		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, 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	[194.09; 451.14]	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			-1.80960e+01
Coefficient B			9.42920e-01
Coefficient C			-6.56980e-04
Coefficient D			1.83300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.09	J/mol×K	273.00	Calculated Property
Cp,gas	241.38	J/mol×K	353.78	Calculated Property
Cp,gas	282.63	J/mol×K	434.56	Calculated Property
Cp,gas	318.43	J/mol×K	515.33	Calculated Property
Cp,gas	349.36	J/mol×K	596.11	Calculated Property
Cp,gas	375.99	J/mol×K	676.89	Calculated Property
Cp,gas	398.90	J/mol×K	757.67	Calculated Property
Cp,gas	418.68	J/mol×K	838.44	Calculated Property
Cp,gas	435.90	J/mol×K	919.22	Calculated Property
Cp,gas	451.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022254; 0.0003703]	Pa×s	[278.09; 485.69]	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			-1.03037e+01
Coefficient B			1.16683e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			278.09
Temperature range, max.			485.69
η	0.0022254	Pa×s	278.09	Calculated Property
η	0.0016138	Pa×s	301.16	Calculated Property
η	0.0012250	Pa×s	324.22	Calculated Property
η	0.0009645	Pa×s	347.29	Calculated Property
η	0.0007824	Pa×s	370.36	Calculated Property
η	0.0006504	Pa×s	393.42	Calculated Property
η	0.0005519	Pa×s	416.49	Calculated Property
η	0.0004765	Pa×s	439.56	Calculated Property
η	0.0004174	Pa×s	462.62	Calculated Property
η	0.0003703	Pa×s	485.69	Calculated Property

Similar Compounds

Find more compounds similar to 5-[( Z)-Hexylidene]-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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