Chemical Properties of 1,2,3-Trimethylindene (CAS 4773-83-5)

InChI

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

InChI Key

NPXPQDMZVKFLKB-UHFFFAOYSA-N

Formula

C12H14

SMILES

CC1=C(C)C(C)c2ccccc21

Molecular Weight¹

158.24

CAS

4773-83-5

Other Names

• 1H-Indene, 1,2,3-trimethyl-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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	[180.53; 459.21]	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			-4.14900e+01
Coefficient B			9.81360e-01
Coefficient C			-6.66560e-04
Coefficient D			1.85900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.53	J/mol×K	273.00	Calculated Property
Cp,gas	230.50	J/mol×K	353.78	Calculated Property
Cp,gas	274.35	J/mol×K	434.56	Calculated Property
Cp,gas	312.66	J/mol×K	515.33	Calculated Property
Cp,gas	346.03	J/mol×K	596.11	Calculated Property
Cp,gas	375.03	J/mol×K	676.89	Calculated Property
Cp,gas	400.27	J/mol×K	757.67	Calculated Property
Cp,gas	422.31	J/mol×K	838.44	Calculated Property
Cp,gas	441.77	J/mol×K	919.22	Calculated Property
Cp,gas	459.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010063; 0.0003933]	Pa×s	[307.68; 519.78]	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			-9.20386e+00
Coefficient B			7.08400e+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.			307.68
Temperature range, max.			519.78
η	0.0010063	Pa×s	307.68	Calculated Property
η	0.0008543	Pa×s	331.25	Calculated Property
η	0.0007411	Pa×s	354.81	Calculated Property
η	0.0006545	Pa×s	378.38	Calculated Property
η	0.0005864	Pa×s	401.95	Calculated Property
η	0.0005319	Pa×s	425.51	Calculated Property
η	0.0004874	Pa×s	449.08	Calculated Property
η	0.0004505	Pa×s	472.64	Calculated Property
η	0.0004196	Pa×s	496.21	Calculated Property
η	0.0003933	Pa×s	519.78	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.33; 2745.42]	kPa	[344.65; 726.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			3.83546e+01
Coefficient B			-7.38909e+03
Coefficient C			-3.08973e+00
Coefficient D			1.79554e-07
Coefficient E			0.00000e+00
Temperature range, min.			344.65
Temperature range, max.			726.00
Pvap	0.33	kPa	344.65	Calculated Property
Pvap	2.41	kPa	387.02	Calculated Property
Pvap	11.57	kPa	429.39	Calculated Property
Pvap	40.86	kPa	471.77	Calculated Property
Pvap	114.74	kPa	514.14	Calculated Property
Pvap	270.53	kPa	556.51	Calculated Property
Pvap	556.61	kPa	598.88	Calculated Property
Pvap	1027.98	kPa	641.26	Calculated Property
Pvap	1740.51	kPa	683.63	Calculated Property
Pvap	2745.42	kPa	726.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Trimethylindene.

Sources

• KDB Vapor Pressure Data
• 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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