Chemical Properties of 1H-INDENE, 1,1,3-TRIMETHYL-

InChI

InChI=1S/C12H14/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h4-8H,1-3H3

InChI Key

GFQUBQQRVARIRW-UHFFFAOYSA-N

Formula

C12H14

SMILES

CC1=CC(C)(C)c2ccccc21

Molecular Weight¹

158.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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, 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	[174.05; 469.58]	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			-1.05780e+02
Coefficient B			1.33276e+00
Coefficient C			-1.26620e-03
Coefficient D			5.08800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.05	J/mol×K	273.00	Calculated Property
Cp,gas	229.77	J/mol×K	353.78	Calculated Property
Cp,gas	276.02	J/mol×K	434.56	Calculated Property
Cp,gas	314.41	J/mol×K	515.33	Calculated Property
Cp,gas	346.53	J/mol×K	596.11	Calculated Property
Cp,gas	374.00	J/mol×K	676.89	Calculated Property
Cp,gas	398.43	J/mol×K	757.67	Calculated Property
Cp,gas	421.44	J/mol×K	838.44	Calculated Property
Cp,gas	444.61	J/mol×K	919.22	Calculated Property
Cp,gas	469.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H-INDENE, 1,1,3-TRIMETHYL-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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