Chemical Properties of 5-Butyl-2(5H)-furanone

InChI

InChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3

InChI Key

KGJZBUMJSZTLTA-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CCCCC1C=CC(=O)O1

Molecular Weight¹

140.18

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.20	kJ/mol	Joback Calculated Property
IE	10.04	eV	Relay (1.0) Calculated Property
logPoct/wat	1.658		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Ip	[1937.00; 1937.00]
Ip	1937.00		NIST
Ip	1937.00		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, 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	[161.61; 388.60]	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			-2.14370e+01
Coefficient B			8.03920e-01
Coefficient C			-5.24280e-04
Coefficient D			1.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.61	J/mol×K	273.00	Calculated Property
Cp,gas	203.13	J/mol×K	353.78	Calculated Property
Cp,gas	239.61	J/mol×K	434.56	Calculated Property
Cp,gas	271.46	J/mol×K	515.33	Calculated Property
Cp,gas	299.11	J/mol×K	596.11	Calculated Property
Cp,gas	322.96	J/mol×K	676.89	Calculated Property
Cp,gas	343.42	J/mol×K	757.67	Calculated Property
Cp,gas	360.90	J/mol×K	838.44	Calculated Property
Cp,gas	375.83	J/mol×K	919.22	Calculated Property
Cp,gas	388.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020290; 0.0004108]	Pa×s	[240.95; 443.86]	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			-9.69406e+00
Coefficient B			8.41840e+02
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.			240.95
Temperature range, max.			443.86
η	0.0020290	Pa×s	240.95	Calculated Property
η	0.0015047	Pa×s	263.50	Calculated Property
η	0.0011697	Pa×s	286.04	Calculated Property
η	0.0009434	Pa×s	308.59	Calculated Property
η	0.0007835	Pa×s	331.13	Calculated Property
η	0.0006663	Pa×s	353.68	Calculated Property
η	0.0005777	Pa×s	376.22	Calculated Property
η	0.0005091	Pa×s	398.77	Calculated Property
η	0.0004547	Pa×s	421.31	Calculated Property
η	0.0004108	Pa×s	443.86	Calculated Property

Similar Compounds

Find more compounds similar to 5-Butyl-2(5H)-furanone.

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.
These property values are available through the Cheméo API. A free account gives you an access key.