Chemical Properties of 1-Isopropyl-6-methylindane (CAS 828-97-7)

InChI

InChI=1S/C13H18/c1-9(2)12-7-6-11-5-4-10(3)8-13(11)12/h4-5,8-9,12H,6-7H2,1-3H3

InChI Key

VTHXZGHOXXVVSE-UHFFFAOYSA-N

Formula

C13H18

SMILES

Cc1ccc2c(c1)C(C(C)C)CC2

Molecular Weight¹

174.28

CAS

828-97-7

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• 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	[205.35; 545.68]	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			-6.61600e+01
Coefficient B			1.19776e+00
Coefficient C			-8.03920e-04
Coefficient D			2.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.35	J/mol×K	273.00	Calculated Property
Cp,gas	266.62	J/mol×K	353.78	Calculated Property
Cp,gas	320.41	J/mol×K	434.56	Calculated Property
Cp,gas	367.42	J/mol×K	515.33	Calculated Property
Cp,gas	408.34	J/mol×K	596.11	Calculated Property
Cp,gas	443.86	J/mol×K	676.89	Calculated Property
Cp,gas	474.66	J/mol×K	757.67	Calculated Property
Cp,gas	501.44	J/mol×K	838.44	Calculated Property
Cp,gas	524.88	J/mol×K	919.22	Calculated Property
Cp,gas	545.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017833; 0.0003832]	Pa×s	[290.67; 531.05]	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			-9.72630e+00
Coefficient B			9.87400e+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.			290.67
Temperature range, max.			531.05
η	0.0017833	Pa×s	290.67	Calculated Property
η	0.0013399	Pa×s	317.38	Calculated Property
η	0.0010524	Pa×s	344.09	Calculated Property
η	0.0008559	Pa×s	370.80	Calculated Property
η	0.0007157	Pa×s	397.51	Calculated Property
η	0.0006120	Pa×s	424.22	Calculated Property
η	0.0005332	Pa×s	450.93	Calculated Property
η	0.0004718	Pa×s	477.64	Calculated Property
η	0.0004228	Pa×s	504.34	Calculated Property
η	0.0003832	Pa×s	531.05	Calculated Property

Similar Compounds

Find more compounds similar to 1-Isopropyl-6-methylindane.

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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