Chemical Properties of ALPHA-HEXYL-GAMMA-BUTYROLACTONE

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3

InChI Key

IBVDLVUXSDSVQF-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCCCCCC1CCOC1=O

Molecular Weight¹

170.25

Other Names

• 3-hexyldihydrofuran-2(3H)-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[210.51; 523.08]	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			-3.10350e+01
Coefficient B			1.04992e+00
Coefficient C			-6.45800e-04
Coefficient D			1.50000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.51	J/mol×K	273.00	Calculated Property
Cp,gas	266.22	J/mol×K	353.78	Calculated Property
Cp,gas	315.57	J/mol×K	434.56	Calculated Property
Cp,gas	359.05	J/mol×K	515.33	Calculated Property
Cp,gas	397.12	J/mol×K	596.11	Calculated Property
Cp,gas	430.27	J/mol×K	676.89	Calculated Property
Cp,gas	458.97	J/mol×K	757.67	Calculated Property
Cp,gas	483.69	J/mol×K	838.44	Calculated Property
Cp,gas	504.90	J/mol×K	919.22	Calculated Property
Cp,gas	523.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030147; 0.0004493]	Pa×s	[262.73; 472.69]	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			-1.00897e+01
Coefficient B			1.12592e+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.			262.73
Temperature range, max.			472.69
η	0.0030147	Pa×s	262.73	Calculated Property
η	0.0021255	Pa×s	286.06	Calculated Property
η	0.0015797	Pa×s	309.39	Calculated Property
η	0.0012239	Pa×s	332.72	Calculated Property
η	0.0009805	Pa×s	356.05	Calculated Property
η	0.0008072	Pa×s	379.38	Calculated Property
η	0.0006797	Pa×s	402.71	Calculated Property
η	0.0005832	Pa×s	426.03	Calculated Property
η	0.0005085	Pa×s	449.36	Calculated Property
η	0.0004493	Pa×s	472.69	Calculated Property

Similar Compounds

Find more compounds similar to ALPHA-HEXYL-GAMMA-BUTYROLACTONE.

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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