Chemical Properties of 1H-Inden-1-one, 2,3-dihydro-5,7-dimethyl-

InChI

InChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3

InChI Key

NXOHUHPRFMGJSZ-UHFFFAOYSA-N

Formula

C11H12O

SMILES

Cc1cc(C)c2c(c1)CCC2=O

Molecular Weight¹

160.22

Other Names

• 1-Indanone, 5,7-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[169.89; 431.39]	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			-1.78700e+01
Coefficient B			8.00540e-01
Coefficient C			-4.36280e-04
Coefficient D			8.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.89	J/mol×K	273.00	Calculated Property
Cp,gas	214.50	J/mol×K	353.78	Calculated Property
Cp,gas	254.60	J/mol×K	434.56	Calculated Property
Cp,gas	290.45	J/mol×K	515.33	Calculated Property
Cp,gas	322.31	J/mol×K	596.11	Calculated Property
Cp,gas	350.47	J/mol×K	676.89	Calculated Property
Cp,gas	375.19	J/mol×K	757.67	Calculated Property
Cp,gas	396.74	J/mol×K	838.44	Calculated Property
Cp,gas	415.38	J/mol×K	919.22	Calculated Property
Cp,gas	431.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Inden-1-one, 2,3-dihydro-5,7-dimethyl-.

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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