Chemical Properties of 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one (CAS 16642-41-4)

InChI

InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-7H,3-5H2,1-2H3

InChI Key

APRDSJRFFKMSPY-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CC1CCC2=C(C1)OC(=O)C2C

Molecular Weight¹

166.22

CAS

16642-41-4

• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[317.94; 398.03]	J/mol×K	[513.49; 720.84]
Cp,gas	317.94	J/mol×K	513.49	Joback Calculated Property
Cp,gas	333.46	J/mol×K	548.05	Joback Calculated Property
Cp,gas	348.05	J/mol×K	582.61	Joback Calculated Property
Cp,gas	361.76	J/mol×K	617.17	Joback Calculated Property
Cp,gas	374.63	J/mol×K	651.72	Joback Calculated Property
Cp,gas	386.71	J/mol×K	686.28	Joback Calculated Property
Cp,gas	398.03	J/mol×K	720.84	Joback Calculated Property
η	[0.0006470; 0.0015078]	Pa×s	[302.95; 513.49]
η	0.0015078	Pa×s	302.95	Joback Calculated Property
η	0.0012171	Pa×s	338.04	Joback Calculated Property
η	0.0010228	Pa×s	373.13	Joback Calculated Property
η	0.0008856	Pa×s	408.22	Joback Calculated Property
η	0.0007845	Pa×s	443.31	Joback Calculated Property
η	0.0007074	Pa×s	478.40	Joback Calculated Property
η	0.0006470	Pa×s	513.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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