Chemical Properties of 3-(Allyloxy)-2-benzofuran-1(3h)-one (CAS 61133-37-7)

InChI

InChI=1S/C11H10O3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-11/h2-6,11H,1,7H2

InChI Key

VUHVYYOSDKVVEP-UHFFFAOYSA-N

Formula

C11H10O3

SMILES

C=CCOC1OC(=O)c2ccccc21

Molecular Weight¹

190.20

CAS

61133-37-7

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.40; 439.54]	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			-1.87990e+01
Coefficient B			9.42500e-01
Coefficient C			-6.69060e-04
Coefficient D			1.84900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.40	J/mol×K	273.00	Calculated Property
Cp,gas	239.08	J/mol×K	353.78	Calculated Property
Cp,gas	279.60	J/mol×K	434.56	Calculated Property
Cp,gas	314.53	J/mol×K	515.33	Calculated Property
Cp,gas	344.45	J/mol×K	596.11	Calculated Property
Cp,gas	369.96	J/mol×K	676.89	Calculated Property
Cp,gas	391.64	J/mol×K	757.67	Calculated Property
Cp,gas	410.08	J/mol×K	838.44	Calculated Property
Cp,gas	425.85	J/mol×K	919.22	Calculated Property
Cp,gas	439.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013964; 0.0005685]	Pa×s	[340.45; 538.26]	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			-9.01893e+00
Coefficient B			8.32430e+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.			340.45
Temperature range, max.			538.26
η	0.0013964	Pa×s	340.45	Calculated Property
η	0.0012040	Pa×s	362.43	Calculated Property
η	0.0010558	Pa×s	384.41	Calculated Property
η	0.0009391	Pa×s	406.39	Calculated Property
η	0.0008454	Pa×s	428.37	Calculated Property
η	0.0007689	Pa×s	450.35	Calculated Property
η	0.0007056	Pa×s	472.33	Calculated Property
η	0.0006524	Pa×s	494.30	Calculated Property
η	0.0006072	Pa×s	516.28	Calculated Property
η	0.0005685	Pa×s	538.26	Calculated Property

Similar Compounds

Find more compounds similar to 3-(Allyloxy)-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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