Chemical Properties of 1H-Indene, 2,3-dihydro-4,6-dimethyl- (CAS 1685-82-1)

InChI

InChI=1S/C11H14/c1-8-6-9(2)11-5-3-4-10(11)7-8/h6-7H,3-5H2,1-2H3

InChI Key

BSYQUYXSAFIGLB-UHFFFAOYSA-N

Formula

C11H14

SMILES

Cc1cc(C)c2c(c1)CCC2

Molecular Weight¹

146.23

CAS

1685-82-1

Other Names

• 2,3-Dihydro-4,6-dimethyl-1H-indene
• 4,6-Dimethyl-(2,3-dihydroindene)
• 4,6-Dimethylindan
• Indan, 4,6-dimethyl-

• ω : Acentric Factor.
• 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).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3249		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	-6265.70 ± 1.50	kJ/mol	NIST
ΔfH°gas	-5.80 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-63.70 ± 1.60	kJ/mol	NIST
ΔfusH°	14.18	kJ/mol	Joback Calculated Property
ΔvapH°	[57.90; 57.91]	kJ/mol
ΔvapH°	57.91 ± 0.41	kJ/mol	NIST
ΔvapH°	57.90 ± 0.40	kJ/mol	NIST
IE	8.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	131.230	ml/mol	McGowan Calculated Property
Pc	4531.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[212.38; 1235.00]
Inp	1235.00		NIST
Inp	212.38		NIST
Inp	1235.00		NIST
S°liquid	295.40	J/mol×K	NIST
Tboil	501.79	K	Relay (1.0) Calculated Property
Tc	761.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	250.91	K	Relay (1.0) Calculated Property
Ttriple	[256.45; 256.45]	K
Ttriple	256.45 ± 0.01	K	NIST
Ttriple	256.45 ± 0.01	K	NIST
Vc	0.510	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, 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,liquid	240.90	J/mol×K	298.15	NIST
Csat	[224.20; 277.70]	J/mol×K	[260.00; 370.00]
Csat	224.20	J/mol×K	260.00	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	228.50	J/mol×K	270.00	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	229.80	J/mol×K	273.15	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	232.80	J/mol×K	280.00	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	237.30	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	241.10	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	241.90	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	246.70	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	251.50	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	256.50	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	261.60	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	266.80	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	272.20	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	277.70	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
ΔfusH	[12.88; 12.88]	kJ/mol	[256.45; 256.50]
ΔfusH	12.88	kJ/mol	256.45	NIST
ΔfusH	12.88	kJ/mol	256.45	NIST
ΔfusH	12.88	kJ/mol	256.50	NIST
ΔfusH	12.88	kJ/mol	256.50	NIST
ΔvapH	[50.30; 56.90]	kJ/mol	[338.00; 441.00]
ΔvapH	56.40	kJ/mol	338.00	NIST
ΔvapH	56.90	kJ/mol	390.00	NIST
ΔvapH	50.30	kJ/mol	441.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.52; 432.26]	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			-5.43000e+01
Coefficient B			9.68840e-01
Coefficient C			-6.80280e-04
Coefficient D			1.98000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.52	J/mol×K	273.00	Calculated Property
Cp,gas	212.08	J/mol×K	353.78	Calculated Property
Cp,gas	254.50	J/mol×K	434.56	Calculated Property
Cp,gas	291.41	J/mol×K	515.33	Calculated Property
Cp,gas	323.44	J/mol×K	596.11	Calculated Property
Cp,gas	351.21	J/mol×K	676.89	Calculated Property
Cp,gas	375.36	J/mol×K	757.67	Calculated Property
Cp,gas	396.49	J/mol×K	838.44	Calculated Property
Cp,gas	415.25	J/mol×K	919.22	Calculated Property
Cp,gas	432.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013450; 0.0003331]	Pa×s	[299.89; 532.70]	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			-9.80480e+00
Coefficient B			9.57690e+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.			299.89
Temperature range, max.			532.70
η	0.0013450	Pa×s	299.89	Calculated Property
η	0.0010438	Pa×s	325.76	Calculated Property
η	0.0008408	Pa×s	351.63	Calculated Property
η	0.0006976	Pa×s	377.49	Calculated Property
η	0.0005929	Pa×s	403.36	Calculated Property
η	0.0005138	Pa×s	429.23	Calculated Property
η	0.0004526	Pa×s	455.10	Calculated Property
η	0.0004042	Pa×s	480.96	Calculated Property
η	0.0003651	Pa×s	506.83	Calculated Property
η	0.0003331	Pa×s	532.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[358.71; 535.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34744e+01
Coefficient B			-3.78355e+03
Coefficient C			-7.17950e+01
Temperature range, min.			358.71
Temperature range, max.			535.30
Pvap	1.33	kPa	358.71	Calculated Property
Pvap	3.10	kPa	378.33	Calculated Property
Pvap	6.51	kPa	397.95	Calculated Property
Pvap	12.58	kPa	417.57	Calculated Property
Pvap	22.64	kPa	437.19	Calculated Property
Pvap	38.38	kPa	456.82	Calculated Property
Pvap	61.81	kPa	476.44	Calculated Property
Pvap	95.24	kPa	496.06	Calculated Property
Pvap	141.27	kPa	515.68	Calculated Property
Pvap	202.65	kPa	535.30	Calculated Property

Similar Compounds

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

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.