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-

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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	-6265.70 ± 1.50	kJ/mol	NIST
Δ_fH°_gas	-5.80 ± 1.70	kJ/mol	NIST
Δ_fH°_liquid	-63.70 ± 1.60	kJ/mol	NIST
Δ_fusH°	14.18	kJ/mol	Joback Calculated Property
Δ_vapH°	[57.90; 57.91]	kJ/mol
Δ_vapH°	57.91 ± 0.41	kJ/mol	NIST
Δ_vapH°	57.90 ± 0.40	kJ/mol	NIST
IE	8.20	eV	Relay (1.0) Calculated Property
logP_oct/wat	2.792		Crippen Calculated Property
McVol	131.230	ml/mol	McGowan Calculated Property
I_np	[212.38; 1235.00]
I_np	1235.00		NIST
I_np	212.38		NIST
I_np	1235.00		NIST
S°_liquid	295.40	J/mol×K	NIST
T_boil	501.79	K	Relay (1.0) Calculated Property
T_fus	250.91	K	Relay (1.0) Calculated Property
T_triple	[256.45; 256.45]	K
T_triple	256.45 ± 0.01	K	NIST
T_triple	256.45 ± 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
C_p,gas	[286.68; 366.54]	J/mol×K	[504.31; 726.86]

C_p,gas	286.68	J/mol×K	504.31	Joback Calculated Property
C_p,gas	302.25	J/mol×K	541.40	Joback Calculated Property
C_p,gas	316.84	J/mol×K	578.49	Joback Calculated Property
C_p,gas	330.50	J/mol×K	615.59	Joback Calculated Property
C_p,gas	343.30	J/mol×K	652.68	Joback Calculated Property
C_p,gas	355.29	J/mol×K	689.77	Joback Calculated Property
C_p,gas	366.54	J/mol×K	726.86	Joback Calculated Property
C_p,liquid	240.90	J/mol×K	298.15	NIST
C_sat	[224.20; 277.70]	J/mol×K	[260.00; 370.00]

C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
C_sat	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
η	[0.0003686; 0.0013450]	Pa×s	[299.89; 504.31]

η	0.0013450	Pa×s	299.89	Joback Calculated Property
η	0.0009711	Pa×s	333.96	Joback Calculated Property
η	0.0007447	Pa×s	368.03	Joback Calculated Property
η	0.0005973	Pa×s	402.10	Joback Calculated Property
η	0.0004959	Pa×s	436.17	Joback Calculated Property
η	0.0004230	Pa×s	470.24	Joback Calculated Property
η	0.0003686	Pa×s	504.31	Joback Calculated Property
Δ_fusH	[12.88; 12.88]	kJ/mol	[256.45; 256.50]
Δ_fusH	12.88	kJ/mol	256.45	NIST
Δ_fusH	12.88	kJ/mol	256.45	NIST
Δ_fusH	12.88	kJ/mol	256.50	NIST
Δ_fusH	12.88	kJ/mol	256.50	NIST
Δ_vapH	[50.30; 56.90]	kJ/mol	[338.00; 441.00]
Δ_vapH	56.40	kJ/mol	338.00	NIST
Δ_vapH	56.90	kJ/mol	390.00	NIST
Δ_vapH	50.30	kJ/mol	441.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[358.71; 535.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

P_vap	1.33	kPa	358.71	Calculated Property
P_vap	3.10	kPa	378.33	Calculated Property
P_vap	6.51	kPa	397.95	Calculated Property
P_vap	12.58	kPa	417.57	Calculated Property
P_vap	22.64	kPa	437.19	Calculated Property
P_vap	38.38	kPa	456.82	Calculated Property
P_vap	61.81	kPa	476.44	Calculated Property
P_vap	95.24	kPa	496.06	Calculated Property
P_vap	141.27	kPa	515.68	Calculated Property
P_vap	202.65	kPa	535.30	Calculated Property

Similar Compounds

1H-Indene, 2,3-dihydro-4,5,7-trimethyl-.

Naphthalene, 1,2,3,4-tetrahydro-5,7-dimethyl-.

Benzene, 3-butyl-1(chloromethyl)-4-methyl.

Find more compounds similar to 1H-Indene, 2,3-dihydro-4,6-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
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.
These property values are available through the Cheméo API. A free account gives you an access key.

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

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources