Chemical Properties of 3(2H)-Benzofuranone, 7-hydroxy-2,2-dimethyl- (CAS 17781-16-7)

InChI

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

InChI Key

XLZCZWCXCBPEJR-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

CC1(C)Oc2c(O)cccc2C1=O

Molecular Weight¹

178.18

CAS

17781-16-7

Other Names

• 3-Ketocarbofuran phenol
• Carbofuran 3-keto 7-phenol
• 7-Hydroxy-2,2-dimethyl-1-benzofuran-3(2H)-one
• 2,3-Dihydro-7-hydroxy-2,2-dimethyl-3-ketobenzofuran
• 3-Ketocarbofuran-7-ol

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[343.54; 412.17]	J/mol×K	[642.43; 899.57]
Cp,gas	343.54	J/mol×K	642.43	Joback Calculated Property
Cp,gas	355.75	J/mol×K	685.29	Joback Calculated Property
Cp,gas	367.32	J/mol×K	728.14	Joback Calculated Property
Cp,gas	378.51	J/mol×K	771.00	Joback Calculated Property
Cp,gas	389.55	J/mol×K	813.86	Joback Calculated Property
Cp,gas	400.69	J/mol×K	856.72	Joback Calculated Property
Cp,gas	412.17	J/mol×K	899.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Benzofuranone, 7-hydroxy-2,2-dimethyl-.

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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