Chemical Properties of 1H-Indene, octahydro- (CAS 496-10-6)

InChI

InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2

InChI Key

BNRNAKTVFSZAFA-UHFFFAOYSA-N

Formula

C9H16

SMILES

C1CCC2CCCC2C1

Molecular Weight¹

124.22

CAS

496-10-6

Other Names

• 1H-Indene, perhydro
• Bicyclo[4.3.0]nonane,c&t
• Octahydro-1H-indene
• bicyclo[4.3.0]nonane
• hexahydroindan
• hexahydroindane
• hydrindan
• hydrindane
• indan, hexahydro-
• perhydroindene

• 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).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5588.60	kJ/mol	NIST
ΔfH°gas	-111.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	47.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	115.950	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[940.00; 999.00]
Inp	991.00		NIST
Inp	999.00		NIST
Inp	977.00		NIST
Inp	977.00		NIST
Inp	940.00		NIST
Tboil	437.00 ± 10.00	K	NIST
Tc	671.58	K	Relay (1.0) Calculated Property
Tfus	[230.00; 230.00]	K
Tfus	230.00 ± 1.66	K	NIST
Tfus	230.00 ± 1.66	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[241.06; 346.00]	J/mol×K	[431.81; 648.18]
Cp,gas	241.06	J/mol×K	431.81	Joback Calculated Property
Cp,gas	261.47	J/mol×K	467.87	Joback Calculated Property
Cp,gas	280.64	J/mol×K	503.93	Joback Calculated Property
Cp,gas	298.62	J/mol×K	540.00	Joback Calculated Property
Cp,gas	315.47	J/mol×K	576.06	Joback Calculated Property
Cp,gas	331.24	J/mol×K	612.12	Joback Calculated Property
Cp,gas	346.00	J/mol×K	648.18	Joback Calculated Property
Cp,liquid	[217.10; 293.30]	J/mol×K	[310.00; 420.00]
Cp,liquid	219.90	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
Cp,liquid	219.70	J/mol×K	311.00	NIST
Cp,liquid	217.10	J/mol×K	313.00	NIST
Cp,liquid	222.40	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
Cp,liquid	225.80	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
Cp,liquid	230.00	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
Cp,liquid	235.00	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
Cp,liquid	240.80	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
Cp,liquid	247.50	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
Cp,liquid	255.00	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
Cp,liquid	263.30	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
Cp,liquid	272.50	J/mol×K	400.00	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
Cp,liquid	282.50	J/mol×K	410.00	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
Cp,liquid	293.30	J/mol×K	420.00	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	[0.0004577; 0.0026731]	Pa×s	[216.51; 431.81]
η	0.0026731	Pa×s	216.51	Joback Calculated Property
η	0.0016161	Pa×s	252.39	Joback Calculated Property
η	0.0011075	Pa×s	288.28	Joback Calculated Property
η	0.0008252	Pa×s	324.16	Joback Calculated Property
η	0.0006520	Pa×s	360.04	Joback Calculated Property
η	0.0005376	Pa×s	395.93	Joback Calculated Property
η	0.0004577	Pa×s	431.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, octahydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Joback Method
• McGowan Method
• NIST Webbook
• 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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