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

InChI

InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h5-7H,2-4H2,1H3/b8-5+

InChI Key

ICHISWQVYXYNPA-VMPITWQZSA-N

Formula

C9H12O2

SMILES

CCCCC=C1C=CC(=O)O1

Molecular Weight¹

152.19

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.04	kJ/mol	Joback Calculated Property
logPoct/wat	2.173		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Inp	[1424.00; 1424.00]
Inp	1424.00		NIST
Inp	1424.00		NIST
Ip	[2211.00; 2211.00]
Ip	2211.00		NIST
Ip	2211.00		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	[172.87; 399.55]	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			-1.71870e+01
Coefficient B			8.47920e-01
Coefficient C			-6.02580e-04
Coefficient D			1.71400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.87	J/mol×K	273.00	Calculated Property
Cp,gas	214.96	J/mol×K	353.78	Calculated Property
Cp,gas	251.56	J/mol×K	434.56	Calculated Property
Cp,gas	283.21	J/mol×K	515.33	Calculated Property
Cp,gas	310.45	J/mol×K	596.11	Calculated Property
Cp,gas	333.83	J/mol×K	676.89	Calculated Property
Cp,gas	353.89	J/mol×K	757.67	Calculated Property
Cp,gas	371.17	J/mol×K	838.44	Calculated Property
Cp,gas	386.21	J/mol×K	919.22	Calculated Property
Cp,gas	399.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020857; 0.0003646]	Pa×s	[266.82; 471.25]	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			-1.01929e+01
Coefficient B			1.07267e+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.			266.82
Temperature range, max.			471.25
η	0.0020857	Pa×s	266.82	Calculated Property
η	0.0015215	Pa×s	289.53	Calculated Property
η	0.0011621	Pa×s	312.25	Calculated Property
η	0.0009206	Pa×s	334.96	Calculated Property
η	0.0007512	Pa×s	357.68	Calculated Property
η	0.0006280	Pa×s	380.39	Calculated Property
η	0.0005357	Pa×s	403.11	Calculated Property
η	0.0004649	Pa×s	425.82	Calculated Property
η	0.0004092	Pa×s	448.54	Calculated Property
η	0.0003646	Pa×s	471.25	Calculated Property

Similar Compounds

Find more compounds similar to 5-[( E)-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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