Chemical Properties of 1H-Indene, 2,3-dihydro-4,7-dimethyl- (CAS 6682-71-9)

InChI

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

InChI Key

IWHKMCQFAMHMSX-UHFFFAOYSA-N

Formula

C11H14

SMILES

Cc1ccc(C)c2c1CCC2

Molecular Weight¹

146.23

CAS

6682-71-9

Other Names

• 2,3-Dihydro-4,7-dimethyl-1H-indene
• 4,7-Dimethyl-(2,3-dihydroindene)
• 4,7-Dimethylindan
• Indan, 4,7-dimethyl-

• 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_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_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	-6263.70 ± 1.50	kJ/mol	NIST
ΔfH°gas	-7.40 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-65.70 ± 1.60	kJ/mol	NIST
ΔfusH°	14.18	kJ/mol	Joback Calculated Property
ΔvapH°	[58.29; 58.30]	kJ/mol
ΔvapH°	58.29 ± 0.44	kJ/mol	NIST
ΔvapH°	58.30 ± 0.40	kJ/mol	NIST
IE	8.18	eV	Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	131.230	ml/mol	McGowan Calculated Property
Inp	[202.26; 1253.00]
Inp	1248.00		NIST
Inp	1253.00		NIST
Inp	202.26		NIST
Inp	1253.00		NIST
S°liquid	293.20	J/mol×K	NIST
Tboil	505.26	K	Relay (1.0) Calculated Property
Tfus	305.52	K	Relay (1.0) Calculated Property
Ttriple	[272.63; 272.63]	K
Ttriple	272.63 ± 0.01	K	NIST
Ttriple	272.63 ± 0.01	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	241.50	J/mol×K	298.15	NIST
Csat	[237.40; 286.60]	J/mol×K	[290.00; 390.00]
Csat	237.40	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	241.40	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	242.40	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	247.30	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	252.20	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	257.10	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	262.00	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	266.90	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	271.80	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	276.80	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	281.70	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
Csat	286.60	J/mol×K	390.00	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	[13.52; 13.52]	kJ/mol	[272.63; 272.70]
ΔfusH	13.52	kJ/mol	272.63	NIST
ΔfusH	13.52	kJ/mol	272.63	NIST
ΔfusH	13.52	kJ/mol	272.70	NIST
ΔfusH	13.52	kJ/mol	272.70	NIST
ΔvapH	[50.60; 56.90]	kJ/mol	[338.00; 443.50]
ΔvapH	56.90	kJ/mol	338.00	NIST
ΔvapH	54.70	kJ/mol	391.50	NIST
ΔvapH	50.60	kJ/mol	443.50	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; 0.0003625]	Pa×s	[299.89; 508.81]	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
Temperature range, min.			299.89
Temperature range, max.			508.81
η	0.0013450	Pa×s	299.89	Calculated Property
η	0.0010693	Pa×s	323.10	Calculated Property
η	0.0008766	Pa×s	346.32	Calculated Property
η	0.0007368	Pa×s	369.53	Calculated Property
η	0.0006322	Pa×s	392.74	Calculated Property
η	0.0005518	Pa×s	415.95	Calculated Property
η	0.0004885	Pa×s	439.17	Calculated Property
η	0.0004379	Pa×s	462.38	Calculated Property
η	0.0003966	Pa×s	485.59	Calculated Property
η	0.0003625	Pa×s	508.81	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[367.67; 531.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46219e+01
Coefficient B			-4.34935e+03
Coefficient C			-6.42430e+01
Temperature range, min.			367.67
Temperature range, max.			531.39
Pvap	1.33	kPa	367.67	Calculated Property
Pvap	3.00	kPa	385.86	Calculated Property
Pvap	6.19	kPa	404.05	Calculated Property
Pvap	11.86	kPa	422.24	Calculated Property
Pvap	21.34	kPa	440.43	Calculated Property
Pvap	36.37	kPa	458.63	Calculated Property
Pvap	59.14	kPa	476.82	Calculated Property
Pvap	92.31	kPa	495.01	Calculated Property
Pvap	138.96	kPa	513.20	Calculated Property
Pvap	202.65	kPa	531.39	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 2,3-dihydro-4,7-dimethyl-.

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
• KDB
• 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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