Chemical Properties of 4-ethoxycarbonyl-«gamma»-butanolactone

InChI

InChI=1S/C7H10O4/c1-2-10-7(9)5-3-6(8)11-4-5/h5H,2-4H2,1H3

InChI Key

FESAUDRCHNHLNK-UHFFFAOYSA-N

Formula

C7H10O4

SMILES

CCOC(=O)C1COC(=O)C1

Molecular Weight¹

158.15

• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.76	kJ/mol	Joback Calculated Property
logPoct/wat	0.113		Crippen Calculated Property
McVol	113.510	ml/mol	McGowan Calculated Property
I	[2241.00; 2241.00]
I	2241.00		NIST
I	2241.00		NIST
Tboil	545.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[163.21; 376.42]	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			-2.89900e+00
Coefficient B			7.10120e-01
Coefficient C			-3.88000e-04
Coefficient D			5.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.21	J/mol×K	273.00	Calculated Property
Cp,gas	202.30	J/mol×K	353.78	Calculated Property
Cp,gas	237.11	J/mol×K	434.56	Calculated Property
Cp,gas	267.84	J/mol×K	515.33	Calculated Property
Cp,gas	294.65	J/mol×K	596.11	Calculated Property
Cp,gas	317.74	J/mol×K	676.89	Calculated Property
Cp,gas	337.28	J/mol×K	757.67	Calculated Property
Cp,gas	353.45	J/mol×K	838.44	Calculated Property
Cp,gas	366.44	J/mol×K	919.22	Calculated Property
Cp,gas	376.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030665; 0.0004394]	Pa×s	[271.25; 473.67]	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			-1.03334e+01
Coefficient B			1.23316e+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.			271.25
Temperature range, max.			473.67
η	0.0030665	Pa×s	271.25	Calculated Property
η	0.0021650	Pa×s	293.74	Calculated Property
η	0.0016062	Pa×s	316.23	Calculated Property
η	0.0012398	Pa×s	338.72	Calculated Property
η	0.0009883	Pa×s	361.21	Calculated Property
η	0.0008091	Pa×s	383.70	Calculated Property
η	0.0006772	Pa×s	406.20	Calculated Property
η	0.0005775	Pa×s	428.69	Calculated Property
η	0.0005003	Pa×s	451.18	Calculated Property
η	0.0004394	Pa×s	473.67	Calculated Property

Similar Compounds

Find more compounds similar to 4-ethoxycarbonyl-«gamma»-butanolactone.

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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