1H-Indene, 2,3-dihydro-1,1-dimethyl- (CAS 4912-92-9)

InChI

InChI=1S/C11H14/c1-11(2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3

InChI Key

UTTMVTDJCFSOFF-UHFFFAOYSA-N

Formula

C11H14

SMILES

CC1(C)CCc2ccccc21

Molecular Weight¹

146.23

CAS

4912-92-9

Other Names

1,1-Dimethyl-(2,3-dihydroindene)
1,1-Dimethyl-2,3-dihydro-1H-indene
1,1-Dimethylindan
1,1-Dimethylindane
Indan, 1,1-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).
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_triple : Triple Point Temperature (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	[-6275.90; -6275.62]	kJ/mol
Δ_cH°_liquid	-6275.62 ± 0.84	kJ/mol	NIST
Δ_cH°_liquid	-6275.90 ± 1.80	kJ/mol	NIST
Δ_fH°_gas	[-1.90; -1.60]	kJ/mol
Δ_fH°_gas	-1.90 ± 1.00	kJ/mol	NIST
Δ_fH°_gas	-1.60 ± 1.90	kJ/mol	NIST
Δ_fH°_liquid	[-53.80; -53.50]	kJ/mol
Δ_fH°_liquid	-53.80 ± 1.00	kJ/mol	NIST
Δ_fH°_liquid	-53.50 ± 1.90	kJ/mol	NIST
Δ_fusH°	9.73	kJ/mol	Joback Calculated Property
Δ_vapH°	[51.90; 51.94]	kJ/mol
Δ_vapH°	51.94 ± 0.29	kJ/mol	NIST
Δ_vapH°	51.90 ± 0.30	kJ/mol	NIST
IE	8.47	eV	NIST
logP_oct/wat	2.910		Crippen Calculated Property
McVol	131.230	ml/mol	McGowan Calculated Property
I_np	[1081.00; 1095.00]
I_np	1090.00		NIST
I_np	1095.00		NIST
I_np	1081.00		NIST
S°_liquid	288.10	J/mol×K	NIST
T_boil	464.20	K	NIST
T_triple	[227.35; 227.35]	K
T_triple	227.35 ± 0.01	K	NIST
T_triple	227.35 ± 0.01	K	NIST

Cheméo can also estimate Normal melting (fusion) point, 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
C_p,liquid	249.40	J/mol×K	298.15	NIST
C_sat	[222.50; 298.60]	J/mol×K	[240.00; 390.00]

C_sat	222.50	J/mol×K	240.00	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
C_sat	226.70	J/mol×K	250.00	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
C_sat	231.20	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
C_sat	235.80	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
C_sat	237.20	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
C_sat	240.50	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
C_sat	245.40	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
C_sat	249.40	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
C_sat	250.30	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
C_sat	255.40	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
C_sat	260.60	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
C_sat	265.90	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
C_sat	271.20	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
C_sat	276.60	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
C_sat	282.00	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
C_sat	287.50	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
C_sat	293.00	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
C_sat	298.60	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
Δ_fusH	[11.99; 11.99]	kJ/mol	[227.35; 227.40]
Δ_fusH	11.99	kJ/mol	227.35	NIST
Δ_fusH	11.99	kJ/mol	227.35	NIST
Δ_fusH	11.99	kJ/mol	227.40	NIST
Δ_fusH	11.99	kJ/mol	227.40	NIST
Δ_vapH	[45.90; 50.50]	kJ/mol	[330.50; 427.00]
Δ_vapH	50.10	kJ/mol	330.50	NIST
Δ_vapH	50.50	kJ/mol	390.00	NIST
Δ_vapH	45.90	kJ/mol	427.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[156.76; 452.33]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-1.26950e+02
Coefficient B			1.35324e+00
Coefficient C			-1.29156e-03
Coefficient D			5.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	156.76	J/mol×K	273.00	Calculated Property
C_p,gas	213.06	J/mol×K	353.78	Calculated Property
C_p,gas	259.69	J/mol×K	434.56	Calculated Property
C_p,gas	298.26	J/mol×K	515.33	Calculated Property
C_p,gas	330.42	J/mol×K	596.11	Calculated Property
C_p,gas	357.80	J/mol×K	676.89	Calculated Property
C_p,gas	382.05	J/mol×K	757.67	Calculated Property
C_p,gas	404.80	J/mol×K	838.44	Calculated Property
C_p,gas	427.68	J/mol×K	919.22	Calculated Property
C_p,gas	452.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[338.34; 509.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.30114e+01
Coefficient B			-3.34583e+03
Coefficient C			-7.53810e+01
Temperature range, min.			338.34
Temperature range, max.			509.91

P_vap	1.33	kPa	338.34	Calculated Property
P_vap	3.15	kPa	357.40	Calculated Property
P_vap	6.68	kPa	376.47	Calculated Property
P_vap	12.94	kPa	395.53	Calculated Property
P_vap	23.29	kPa	414.59	Calculated Property
P_vap	39.36	kPa	433.66	Calculated Property
P_vap	63.09	kPa	452.72	Calculated Property
P_vap	96.63	kPa	471.78	Calculated Property
P_vap	142.34	kPa	490.85	Calculated Property
P_vap	202.65	kPa	509.91	Calculated Property

Similar Compounds

1H-Indene, 2,3-dihydro-1,1,6-trimethyl-.

1H-Indene, 5-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-.

1H-Indene, 2,3-dihydro-1,1,5-trimethyl-.

1H-Indene, 1-ethyl-2,3-dihydro-1-methyl-.

1H-Indene, 2,3-dihydro-1,1,4-trimethyl-.

1H-Indene, 2,3-dihydro-1,1,5,6-tetramethyl-.

1H-Indene, 2,3-dihydro-1,1,4,5-tetramethyl-.

1H-Indene, 2,3-dihydro-1,1,4,6-tetramethyl-.

1H-Indene, 2,3-dihydro-1,1,3-trimethyl-.

1H-Indene, 2,3-dihydro-1,1,4,7-tetramethyl-.

Naphthalene, 1,2,3,4-tetrahydro-1,1-dimethyl-.

1,1,4,5,6-Pentamethyl-2,3-dihydro-1H-indene.

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

Sources

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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Chemical Properties of 1H-Indene, 2,3-dihydro-1,1-dimethyl- (CAS 4912-92-9)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources