Chemical Properties of 1(3H)-Isobenzofuranone, 3-ethoxy-

InChI

InChI=1S/C10H10O3/c1-2-12-10-8-6-4-3-5-7(8)9(11)13-10/h3-6,10H,2H2,1H3

InChI Key

VCBNFFOSUGMASJ-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

CCOC1OC(=O)c2ccccc21

Molecular Weight¹

178.19

Other Names

• Phthalide, 3-ethoxy-
• 3-Ethoxyphthalide

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[181.00; 416.46]	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			-1.48990e+01
Coefficient B			8.67520e-01
Coefficient C			-5.91760e-04
Coefficient D			1.55600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.00	J/mol×K	273.00	Calculated Property
Cp,gas	224.84	J/mol×K	353.78	Calculated Property
Cp,gas	263.11	J/mol×K	434.56	Calculated Property
Cp,gas	296.31	J/mol×K	515.33	Calculated Property
Cp,gas	324.92	J/mol×K	596.11	Calculated Property
Cp,gas	349.44	J/mol×K	676.89	Calculated Property
Cp,gas	370.36	J/mol×K	757.67	Calculated Property
Cp,gas	388.18	J/mol×K	838.44	Calculated Property
Cp,gas	403.38	J/mol×K	919.22	Calculated Property
Cp,gas	416.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013679; 0.0005595]	Pa×s	[330.94; 523.87]	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			-9.02217e+00
Coefficient B			8.03430e+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.			330.94
Temperature range, max.			523.87
η	0.0013679	Pa×s	330.94	Calculated Property
η	0.0011801	Pa×s	352.38	Calculated Property
η	0.0010355	Pa×s	373.81	Calculated Property
η	0.0009216	Pa×s	395.25	Calculated Property
η	0.0008301	Pa×s	416.69	Calculated Property
η	0.0007553	Pa×s	438.12	Calculated Property
η	0.0006934	Pa×s	459.56	Calculated Property
η	0.0006414	Pa×s	481.00	Calculated Property
η	0.0005973	Pa×s	502.43	Calculated Property
η	0.0005595	Pa×s	523.87	Calculated Property

Similar Compounds

Find more compounds similar to 1(3H)-Isobenzofuranone, 3-ethoxy-.

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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