Chemical Properties of 3-(2-Propynyloxy)-2-benzofuran-1(3h)-one (CAS 61133-38-8)

InChI

InChI=1S/C11H8O3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-11/h1,3-6,11H,7H2

InChI Key

IUSUHIUAFDBTHY-UHFFFAOYSA-N

Formula

C11H8O3

SMILES

C#CCOC1OC(=O)c2ccccc21

Molecular Weight¹

188.18

CAS

61133-38-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.02; 371.55]	J/mol×K	[551.90; 772.81]
Cp,gas	313.02	J/mol×K	551.90	Joback Calculated Property
Cp,gas	324.72	J/mol×K	588.72	Joback Calculated Property
Cp,gas	335.56	J/mol×K	625.54	Joback Calculated Property
Cp,gas	345.61	J/mol×K	662.35	Joback Calculated Property
Cp,gas	354.93	J/mol×K	699.17	Joback Calculated Property
Cp,gas	363.55	J/mol×K	735.99	Joback Calculated Property
Cp,gas	371.55	J/mol×K	772.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Propynyloxy)-2-benzofuran-1(3h)-one.

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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