Chemical Properties of 4-ethoxy-«gamma»-valerolactone

InChI

InChI=1S/C7H12O3/c1-3-9-6-4-7(8)10-5(6)2/h5-6H,3-4H2,1-2H3

InChI Key

CNOBBQALMRHGQE-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

CCOC1CC(=O)OC1C

Molecular Weight¹

144.17

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.65	kJ/mol	Joback Calculated Property
logPoct/wat	0.727		Crippen Calculated Property
McVol	111.940	ml/mol	McGowan Calculated Property
Ip	[1653.00; 1653.00]
Ip	1653.00		NIST
Ip	1653.00		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	[164.54; 393.47]	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			3.13100e+00
Coefficient B			6.75240e-01
Coefficient C			-3.16200e-04
Coefficient D			3.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.54	J/mol×K	273.00	Calculated Property
Cp,gas	203.83	J/mol×K	353.78	Calculated Property
Cp,gas	239.42	J/mol×K	434.56	Calculated Property
Cp,gas	271.42	J/mol×K	515.33	Calculated Property
Cp,gas	299.92	J/mol×K	596.11	Calculated Property
Cp,gas	325.02	J/mol×K	676.89	Calculated Property
Cp,gas	346.83	J/mol×K	757.67	Calculated Property
Cp,gas	365.45	J/mol×K	838.44	Calculated Property
Cp,gas	380.96	J/mol×K	919.22	Calculated Property
Cp,gas	393.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013486; 0.0003764]	Pa×s	[246.91; 440.05]	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			-9.51601e+00
Coefficient B			7.17840e+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.			246.91
Temperature range, max.			440.05
η	0.0013486	Pa×s	246.91	Calculated Property
η	0.0010688	Pa×s	268.37	Calculated Property
η	0.0008768	Pa×s	289.83	Calculated Property
η	0.0007392	Pa×s	311.29	Calculated Property
η	0.0006370	Pa×s	332.75	Calculated Property
η	0.0005590	Pa×s	354.21	Calculated Property
η	0.0004979	Pa×s	375.67	Calculated Property
η	0.0004490	Pa×s	397.13	Calculated Property
η	0.0004093	Pa×s	418.59	Calculated Property
η	0.0003764	Pa×s	440.05	Calculated Property

Similar Compounds

Find more compounds similar to 4-ethoxy-«gamma»-valerolactone.

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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