Chemical Properties of 2H-Pyran-2-one, 6-ethyltetrahydro- (CAS 3301-90-4)

InChI

InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3

InChI Key

JFVQYQDTHWLYHG-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

CCC1CCCC(=O)O1

Molecular Weight¹

128.17

CAS

3301-90-4

Other Names

• Heptanoic acid, 5-hydroxy-, «delta»-lactone
• 5-Hydroxyheptanoic acid lactone
• 6-Ethyltetrahydro-2H-pyran-2-one
• «delta»-Heptalactone
• «delta»-Heptanolide

• 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.
• I_p : 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	[141.98; 370.09]	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			-3.34290e+01
Coefficient B			7.55320e-01
Coefficient C			-4.36200e-04
Coefficient D			8.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.98	J/mol×K	273.00	Calculated Property
Cp,gas	182.93	J/mol×K	353.78	Calculated Property
Cp,gas	219.35	J/mol×K	434.56	Calculated Property
Cp,gas	251.52	J/mol×K	515.33	Calculated Property
Cp,gas	279.70	J/mol×K	596.11	Calculated Property
Cp,gas	304.16	J/mol×K	676.89	Calculated Property
Cp,gas	325.16	J/mol×K	757.67	Calculated Property
Cp,gas	342.97	J/mol×K	838.44	Calculated Property
Cp,gas	357.86	J/mol×K	919.22	Calculated Property
Cp,gas	370.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033896; 0.0003509]	Pa×s	[225.40; 436.61]	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			-1.03756e+01
Coefficient B			1.05681e+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.			225.40
Temperature range, max.			436.61
η	0.0033896	Pa×s	225.40	Calculated Property
η	0.0021784	Pa×s	248.87	Calculated Property
η	0.0015108	Pa×s	272.34	Calculated Property
η	0.0011105	Pa×s	295.80	Calculated Property
η	0.0008540	Pa×s	319.27	Calculated Property
η	0.0006808	Pa×s	342.74	Calculated Property
η	0.0005587	Pa×s	366.21	Calculated Property
η	0.0004696	Pa×s	389.68	Calculated Property
η	0.0004026	Pa×s	413.14	Calculated Property
η	0.0003509	Pa×s	436.61	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, 6-ethyltetrahydro-.

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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