Chemical Properties of Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- (CAS 4228-10-8)

InChI

InChI=1S/C11H12O/c1-8(12)10-7-6-9-4-2-3-5-11(9)10/h2-5,10H,6-7H2,1H3

InChI Key

ZDDDIYOBAOJYAZ-UHFFFAOYSA-N

Formula

C11H12O

SMILES

CC(=O)C1CCc2ccccc21

Molecular Weight¹

160.21

CAS

4228-10-8

Other Names

• Ketone, 5-indanyl methyl
• 5-Acetylindan
• 5-Acetylindane
• 1-Indan-1-ylethanone

• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.61; 434.02]	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			-6.96000e+01
Coefficient B			1.03332e+00
Coefficient C			-7.40260e-04
Coefficient D			2.10560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.61	J/mol×K	273.00	Calculated Property
Cp,gas	212.64	J/mol×K	353.78	Calculated Property
Cp,gas	256.92	J/mol×K	434.56	Calculated Property
Cp,gas	295.13	J/mol×K	515.33	Calculated Property
Cp,gas	327.93	J/mol×K	596.11	Calculated Property
Cp,gas	355.97	J/mol×K	676.89	Calculated Property
Cp,gas	379.94	J/mol×K	757.67	Calculated Property
Cp,gas	400.49	J/mol×K	838.44	Calculated Property
Cp,gas	418.30	J/mol×K	919.22	Calculated Property
Cp,gas	434.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019881; 0.0005176]	Pa×s	[320.54; 540.94]	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			-9.52348e+00
Coefficient B			1.05871e+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.			320.54
Temperature range, max.			540.94
η	0.0019881	Pa×s	320.54	Calculated Property
η	0.0015726	Pa×s	345.03	Calculated Property
η	0.0012832	Pa×s	369.52	Calculated Property
η	0.0010739	Pa×s	394.01	Calculated Property
η	0.0009177	Pa×s	418.50	Calculated Property
η	0.0007979	Pa×s	442.99	Calculated Property
η	0.0007040	Pa×s	467.48	Calculated Property
η	0.0006289	Pa×s	491.97	Calculated Property
η	0.0005679	Pa×s	516.45	Calculated Property
η	0.0005176	Pa×s	540.94	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)-.

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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