Chemical Properties of 1H-Indene, 2,3-dihydro-1,1,4,6-tetramethyl- (CAS 941-60-6)

InChI

InChI=1S/C13H18/c1-9-7-10(2)11-5-6-13(3,4)12(11)8-9/h7-8H,5-6H2,1-4H3

InChI Key

PJPNYZCIGFQVQG-UHFFFAOYSA-N

Formula

C13H18

SMILES

Cc1cc(C)c2c(c1)C(C)(C)CC2

Molecular Weight¹

174.29

CAS

941-60-6

Other Names

• 1,1,4,6-Tetramethylindan
• 2,3-Dihydro-1,1,4,6-tetramethyl-1H-indene
• Indan, 1,1,4,6-tetramethyl-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-7556.30 ± 2.70	kJ/mol	NIST
ΔfH°gas	-70.40 ± 2.80	kJ/mol	NIST
ΔfH°liquid	-131.80 ± 2.80	kJ/mol	NIST
ΔfusH°	14.14	kJ/mol	Joback Calculated Property
ΔvapH°	[61.37; 61.40]	kJ/mol
ΔvapH°	61.37 ± 0.47	kJ/mol	NIST
ΔvapH°	61.40 ± 0.50	kJ/mol	NIST
logPoct/wat	3.527		Crippen Calculated Property
McVol	159.410	ml/mol	McGowan Calculated Property
Inp	[1293.00; 1350.00]
Inp	1293.00		NIST
Inp	1350.00		NIST
S°liquid	348.00	J/mol×K	NIST
Tfus	272.25	K	Relay (1.0) Calculated Property
Ttriple	[273.51; 273.51]	K
Ttriple	273.51 ± 0.02	K	NIST
Ttriple	273.51 ± 0.02	K	NIST

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	[379.83; 470.03]	J/mol×K	[545.64; 769.56]
Cp,gas	379.83	J/mol×K	545.64	Joback Calculated Property
Cp,gas	397.19	J/mol×K	582.96	Joback Calculated Property
Cp,gas	413.41	J/mol×K	620.28	Joback Calculated Property
Cp,gas	428.65	J/mol×K	657.60	Joback Calculated Property
Cp,gas	443.06	J/mol×K	694.92	Joback Calculated Property
Cp,gas	456.80	J/mol×K	732.24	Joback Calculated Property
Cp,gas	470.03	J/mol×K	769.56	Joback Calculated Property
Cp,liquid	299.60	J/mol×K	298.15	NIST
Csat	[294.50; 350.90]	J/mol×K	[290.00; 380.00]
Csat	294.50	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	299.60	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	300.70	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	307.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	313.30	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	319.50	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	325.80	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	332.10	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	338.30	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	344.60	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	350.90	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	15.74	kJ/mol	273.60	NIST
ΔvapH	[51.90; 60.20]	kJ/mol	[348.00; 446.00]
ΔvapH	59.40	kJ/mol	348.00	NIST
ΔvapH	60.20	kJ/mol	391.00	NIST
ΔvapH	51.90	kJ/mol	446.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[388.49; 577.49]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.33185e+01
Coefficient B			-3.92519e+03
Coefficient C			-8.72710e+01
Temperature range, min.			388.49
Temperature range, max.			577.49
Pvap	1.33	kPa	388.49	Calculated Property
Pvap	3.12	kPa	409.49	Calculated Property
Pvap	6.57	kPa	430.49	Calculated Property
Pvap	12.70	kPa	451.49	Calculated Property
Pvap	22.85	kPa	472.49	Calculated Property
Pvap	38.70	kPa	493.49	Calculated Property
Pvap	62.22	kPa	514.49	Calculated Property
Pvap	95.70	kPa	535.49	Calculated Property
Pvap	141.62	kPa	556.49	Calculated Property
Pvap	202.65	kPa	577.49	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,4,6-tetramethyl-.

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
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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