Chemical Properties of 3-Methyl-2,3-dihydro-benzofuran (CAS 13524-73-7)

InChI

InChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3

InChI Key

YZDGROPVYQGZTK-UHFFFAOYSA-N

Formula

C9H10O

SMILES

CC1COc2ccccc21

Molecular Weight¹

134.18

CAS

13524-73-7

Other Names

• 2,3-Dihydro-3-methylbenzofuran

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.83	kJ/mol	Joback Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
logPoct/wat	2.183		Crippen Calculated Property
McVol	108.920	ml/mol	McGowan Calculated Property
I	[1655.00; 1655.00]
I	1655.00		NIST
I	1655.00		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, 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	[135.62; 361.34]	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			-5.78200e+01
Coefficient B			8.68320e-01
Coefficient C			-6.36260e-04
Coefficient D			1.87100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.62	J/mol×K	273.00	Calculated Property
Cp,gas	178.02	J/mol×K	353.78	Calculated Property
Cp,gas	214.72	J/mol×K	434.56	Calculated Property
Cp,gas	246.29	J/mol×K	515.33	Calculated Property
Cp,gas	273.33	J/mol×K	596.11	Calculated Property
Cp,gas	296.44	J/mol×K	676.89	Calculated Property
Cp,gas	316.20	J/mol×K	757.67	Calculated Property
Cp,gas	333.21	J/mol×K	838.44	Calculated Property
Cp,gas	348.06	J/mol×K	919.22	Calculated Property
Cp,gas	361.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016500; 0.0004265]	Pa×s	[274.64; 487.46]	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			-9.50583e+00
Coefficient B			8.51070e+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.			274.64
Temperature range, max.			487.46
η	0.0016500	Pa×s	274.64	Calculated Property
η	0.0012906	Pa×s	298.29	Calculated Property
η	0.0010466	Pa×s	321.93	Calculated Property
η	0.0008734	Pa×s	345.58	Calculated Property
η	0.0007460	Pa×s	369.23	Calculated Property
η	0.0006493	Pa×s	392.87	Calculated Property
η	0.0005742	Pa×s	416.52	Calculated Property
η	0.0005145	Pa×s	440.16	Calculated Property
η	0.0004662	Pa×s	463.81	Calculated Property
η	0.0004265	Pa×s	487.46	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-2,3-dihydro-benzofuran.

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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