Chemical Properties of 3,6-Dimethyl-benzo-[b]-furan-2(3H)-one

InChI

InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3

InChI Key

JSJKAEKKWQOCEZ-UHFFFAOYSA-N

Formula

C10H10O2

SMILES

Cc1ccc2c(c1)OC(=O)C2C

Molecular Weight¹

162.19

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.62	kJ/mol	Joback Calculated Property
logPoct/wat	2.018		Crippen Calculated Property
McVol	124.580	ml/mol	McGowan Calculated Property
Ip	[2116.00; 2116.00]
Ip	2116.00		NIST
Ip	2116.00		NIST

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	[168.14; 394.92]	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			-2.61000e+01
Coefficient B			8.71240e-01
Coefficient C			-6.35720e-04
Coefficient D			1.85500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.14	J/mol×K	273.00	Calculated Property
Cp,gas	210.77	J/mol×K	353.78	Calculated Property
Cp,gas	247.68	J/mol×K	434.56	Calculated Property
Cp,gas	279.44	J/mol×K	515.33	Calculated Property
Cp,gas	306.65	J/mol×K	596.11	Calculated Property
Cp,gas	329.89	J/mol×K	676.89	Calculated Property
Cp,gas	349.75	J/mol×K	757.67	Calculated Property
Cp,gas	366.82	J/mol×K	838.44	Calculated Property
Cp,gas	381.68	J/mol×K	919.22	Calculated Property
Cp,gas	394.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012623; 0.0006050]	Pa×s	[321.23; 513.97]	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			-8.63624e+00
Coefficient B			6.30080e+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.			321.23
Temperature range, max.			513.97
η	0.0012623	Pa×s	321.23	Calculated Property
η	0.0011167	Pa×s	342.65	Calculated Property
η	0.0010022	Pa×s	364.06	Calculated Property
η	0.0009103	Pa×s	385.48	Calculated Property
η	0.0008353	Pa×s	406.89	Calculated Property
η	0.0007731	Pa×s	428.31	Calculated Property
η	0.0007208	Pa×s	449.72	Calculated Property
η	0.0006763	Pa×s	471.14	Calculated Property
η	0.0006381	Pa×s	492.55	Calculated Property
η	0.0006050	Pa×s	513.97	Calculated Property

Similar Compounds

Find more compounds similar to 3,6-Dimethyl-benzo-[b]-furan-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

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