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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.45; 395.80]	J/mol×K	[521.68; 742.54]
Cp,gas	315.45	J/mol×K	521.68	Joback Calculated Property
Cp,gas	331.07	J/mol×K	558.49	Joback Calculated Property
Cp,gas	345.71	J/mol×K	595.30	Joback Calculated Property
Cp,gas	359.46	J/mol×K	632.11	Joback Calculated Property
Cp,gas	372.35	J/mol×K	668.92	Joback Calculated Property
Cp,gas	384.44	J/mol×K	705.73	Joback Calculated Property
Cp,gas	395.80	J/mol×K	742.54	Joback Calculated Property
η	[0.0003913; 0.0010063]	Pa×s	[307.68; 521.68]
η	0.0010063	Pa×s	307.68	Joback Calculated Property
η	0.0007922	Pa×s	343.35	Joback Calculated Property
η	0.0006524	Pa×s	379.01	Joback Calculated Property
η	0.0005555	Pa×s	414.68	Joback Calculated Property
η	0.0004852	Pa×s	450.35	Joback Calculated Property
η	0.0004323	Pa×s	486.01	Joback Calculated Property
η	0.0003913	Pa×s	521.68	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.33; 2745.42]	kPa	[344.65; 726.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.83546e+01
Coefficient B			-7.38909e+03
Coefficient C			-3.08973e+00
Coefficient D			1.79554e-07
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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