Chemical Properties of 1-(2,3-dihydro-5-benzofuranyl)-ethanone (CAS 90843-31-5)

InChI

InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3

InChI Key

MMVUJVASBDVNGJ-UHFFFAOYSA-N

Formula

C10H10O2

SMILES

CC(=O)c1ccc2c(c1)CCO2

Molecular Weight¹

162.19

CAS

90843-31-5

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[158.04; 392.25]	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			-4.30100e+01
Coefficient B			9.02320e-01
Coefficient C			-6.60320e-04
Coefficient D			1.93260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.04	J/mol×K	273.00	Calculated Property
Cp,gas	202.12	J/mol×K	353.78	Calculated Property
Cp,gas	240.26	J/mol×K	434.56	Calculated Property
Cp,gas	273.07	J/mol×K	515.33	Calculated Property
Cp,gas	301.17	J/mol×K	596.11	Calculated Property
Cp,gas	325.15	J/mol×K	676.89	Calculated Property
Cp,gas	345.64	J/mol×K	757.67	Calculated Property
Cp,gas	363.25	J/mol×K	838.44	Calculated Property
Cp,gas	378.58	J/mol×K	919.22	Calculated Property
Cp,gas	392.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021013; 0.0005055]	Pa×s	[352.60; 552.65]	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			-1.01012e+01
Coefficient B			1.38785e+03
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.			352.60
Temperature range, max.			552.65
η	0.0021013	Pa×s	352.60	Calculated Property
η	0.0016639	Pa×s	374.83	Calculated Property
η	0.0013524	Pa×s	397.06	Calculated Property
η	0.0011236	Pa×s	419.28	Calculated Property
η	0.0009512	Pa×s	441.51	Calculated Property
η	0.0008181	Pa×s	463.74	Calculated Property
η	0.0007135	Pa×s	485.97	Calculated Property
η	0.0006297	Pa×s	508.20	Calculated Property
η	0.0005616	Pa×s	530.42	Calculated Property
η	0.0005055	Pa×s	552.65	Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,3-dihydro-5-benzofuranyl)-ethanone.

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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