1H-Indene, octahydro-, trans- (CAS 3296-50-2)

InChI

InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/m0/s1

InChI Key

BNRNAKTVFSZAFA-IUCAKERBSA-N

Formula

C9H16

SMILES

C1CCC2CCCC2C1

Molecular Weight¹

124.22

CAS

3296-50-2

Other Names

Indene, octahydro-, trans-
Octahydro-1H-indene, trans
indan, hexahydro-, trans-
trans-Hexahydrindan
trans-bicyclo[4.3.0]nonane
trans-hexahydroindan
trans-hydrindan
trans-hydrindane
trans-octahydro-1H-indene
trans-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).
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).
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.
I_p : Polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
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).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	[-5652.00; -5640.90]	kJ/mol
Δ_cH°_liquid	-5652.00 ± 1.70	kJ/mol	NIST
Δ_cH°_liquid	-5640.90 ± 5.90	kJ/mol	NIST
Δ_fH°_gas	-131.60 ± 2.10	kJ/mol	NIST
Δ_fH°_liquid	-176.40 ± 1.70	kJ/mol	NIST
Δ_fusH°	9.04	kJ/mol	Joback Calculated Property
Δ_vapH°	[44.80; 44.80]	kJ/mol
Δ_vapH°	44.80 ± 1.30	kJ/mol	NIST
Δ_vapH°	44.80	kJ/mol	NIST
IE	[9.46; 10.18]	eV
IE	9.46 ± 0.06	eV	NIST
IE	9.55 ± 0.00	eV	NIST
IE	10.18 ± 0.03	eV	NIST
log₁₀WS	-4.87		Relay (1.0) Calculated Property
logP_oct/wat	2.977		Crippen Calculated Property
McVol	115.950	ml/mol	McGowan Calculated Property
P_c	3276.53	kPa	Joback Calculated Property
I_np	[947.70; 1001.90]
I_np	Outlier 1001.90		NIST
I_np	Outlier 999.80		NIST
I_np	949.80		NIST
I_np	980.00		NIST
I_np	955.00		NIST
I_np	961.00		NIST
I_np	947.70		NIST
I_np	952.00		NIST
I_np	955.30		NIST
I_np	947.70		NIST
I_np	952.00		NIST
I_np	955.30		NIST
I_np	948.00		NIST
I_np	964.00		NIST
I_np	950.00		NIST
I_np	955.00		NIST
I_np	947.70		NIST
I_np	955.30		NIST
I_np	964.00		NIST
I_p	[1059.00; 1059.30]
I_p	1059.30		NIST
I_p	1059.00		NIST
I_p	1059.00		NIST
S°_liquid	258.86	J/mol×K	NIST
T_boil	[434.17; 434.24]	K
T_boil	434.23 ± 0.02	K	NIST
T_boil	434.21 ± 0.15	K	NIST
T_boil	434.21 ± 0.20	K	NIST
T_boil	Outlier 434.17 ± 0.10	K	NIST
T_boil	434.24 ± 0.20	K	NIST
T_boil	434.24 ± 0.30	K	NIST
T_boil	434.21 ± 0.30	K	NIST
T_boil	434.21 ± 0.20	K	NIST
T_boil	434.21 ± 0.20	K	NIST
T_c	671.58	K	Relay (1.0) Calculated Property
T_fus	[212.91; 213.71]	K
T_fus	213.71 ± 0.30	K	NIST
T_fus	213.58 ± 0.10	K	NIST
T_fus	213.58 ± 0.10	K	NIST
T_fus	213.71 ± 0.07	K	NIST
T_fus	213.21 ± 0.20	K	NIST
T_fus	213.21 ± 0.30	K	NIST
T_fus	213.58 ± 0.07	K	NIST
T_fus	213.71 ± 0.05	K	NIST
T_fus	213.58 ± 0.06	K	NIST
T_fus	213.71 ± 0.05	K	NIST
T_fus	212.91 ± 0.20	K	NIST
T_fus	213.05 ± 0.20	K	NIST
T_fus	212.91 ± 0.20	K	NIST
T_fus	213.05 ± 0.50	K	NIST
T_fus	213.10 ± 0.50	K	NIST
T_triple	[213.80; 213.86]	K
T_triple	213.86 ± 0.01	K	NIST
T_triple	213.80 ± 0.20	K	NIST
T_triple	213.86 ± 0.01	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
C_p,liquid	209.70	J/mol×K	298.15	NIST
C_sat	[177.50; 261.40]	J/mol×K	[220.00; 390.00]

C_sat	177.50	J/mol×K	220.00	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	180.70	J/mol×K	230.00	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	184.20	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	187.90	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	192.00	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	196.30	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	197.70	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	200.90	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	205.60	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	209.70	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	210.60	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	215.80	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	221.10	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	226.50	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	232.10	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	237.80	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	243.60	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	249.50	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	255.40	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	261.40	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	[10.90; 10.91]	kJ/mol	[213.86; 213.90]
Δ_fusH	10.91	kJ/mol	213.86	NIST
Δ_fusH	10.91	kJ/mol	213.86	NIST
Δ_fusH	10.90	kJ/mol	213.90	NIST
Δ_fusH	10.90	kJ/mol	213.90	NIST
Δ_vapH	[41.00; 45.90]	kJ/mol	[272.50; 418.50]

Δ_vapH	45.90	kJ/mol	272.50	NIST
Δ_vapH	45.10	kJ/mol	321.50	NIST
Δ_vapH	41.60	kJ/mol	390.00	NIST
Δ_vapH	41.10	kJ/mol	406.50	NIST
Δ_vapH	41.00	kJ/mol	418.50	NIST
Δ_fusS	[50.99; 50.99]	J/mol×K	[213.86; 213.86]
Δ_fusS	50.99	J/mol×K	213.86	NIST
Δ_fusS	50.99	J/mol×K	213.86	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[134.84; 448.46]	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			-1.21140e+02
Coefficient B			1.13180e+00
Coefficient C			-7.67000e-04
Coefficient D			2.04800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	134.84	J/mol×K	273.00	Calculated Property
C_p,gas	192.34	J/mol×K	353.78	Calculated Property
C_p,gas	242.66	J/mol×K	434.56	Calculated Property
C_p,gas	286.45	J/mol×K	515.33	Calculated Property
C_p,gas	324.37	J/mol×K	596.11	Calculated Property
C_p,gas	357.06	J/mol×K	676.89	Calculated Property
C_p,gas	385.16	J/mol×K	757.67	Calculated Property
C_p,gas	409.33	J/mol×K	838.44	Calculated Property
C_p,gas	430.22	J/mol×K	919.22	Calculated Property
C_p,gas	448.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028159; 0.0004201]	Pa×s	[213.37; 453.73]	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			-9.46389e+00
Coefficient B			7.66310e+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.			213.37
Temperature range, max.			453.73

η	0.0028159	Pa×s	213.37	Calculated Property
η	0.0018885	Pa×s	240.08	Calculated Property
η	0.0013720	Pa×s	266.79	Calculated Property
η	0.0010564	Pa×s	293.49	Calculated Property
η	0.0008497	Pa×s	320.20	Calculated Property
η	0.0007067	Pa×s	346.90	Calculated Property
η	0.0006035	Pa×s	373.61	Calculated Property
η	0.0005263	Pa×s	400.32	Calculated Property
η	0.0004669	Pa×s	427.02	Calculated Property
η	0.0004201	Pa×s	453.73	Calculated Property

Similar Compounds

1H-Indene, 5,5'-(1,10-decanediyl)bis[octahydro-.

Tricyclo[7.2.1.0(5,12)]dodecane, isomer # 3.

Tricyclo[8.3.0.0(4,9)]dodecane, isomer # 1.

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

Sources

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Chemical Properties of 1H-Indene, octahydro-, trans- (CAS 3296-50-2)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources