Chemical Properties of 1H-Indene, octahydro-, cis- (CAS 4551-51-3)

InChI

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

InChI Key

BNRNAKTVFSZAFA-DTORHVGOSA-N

Formula

C9H16

SMILES

C1CCC2CCCC2C1

Molecular Weight¹

124.22

CAS

4551-51-3

Other Names

• Indan, hexahydro-, cis-
• Indene, octahydro-, cis-
• Octahydro-1H-indene, cis
• cis-Bicyclo[4.3.0]Nonane
• cis-Hexahydroindan
• cis-Hydrindan
• cis-Hydrindane
• cis-Octahydro-1H-indene
• cis-Perhydroindene
• cis-hexahydrindan

• 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_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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-5655.10; -5646.70]	kJ/mol
ΔcH°liquid	-5655.10 ± 1.50	kJ/mol	NIST
ΔcH°liquid	-5646.70 ± 5.90	kJ/mol	NIST
ΔfH°gas	-127.20 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-173.30 ± 1.50	kJ/mol	NIST
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	[46.00; 46.10]	kJ/mol
ΔvapH°	46.00 ± 1.30	kJ/mol	NIST
ΔvapH°	46.10	kJ/mol	NIST
IE	[9.46; 10.13]	eV
IE	9.46 ± 0.06	eV	NIST
IE	9.50 ± 0.00	eV	NIST
IE	10.13 ± 0.03	eV	NIST
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	[975.00; 1035.60]
Inp	Outlier 1035.60		NIST
Inp	998.00		NIST
Inp	Outlier 1033.10		NIST
Inp	1012.70		NIST
Inp	1004.00		NIST
Inp	989.00		NIST
Inp	980.90		NIST
Inp	1012.00		NIST
Inp	1022.00		NIST
Inp	987.00		NIST
Inp	991.00		NIST
Inp	981.00		NIST
Inp	985.80		NIST
Inp	989.50		NIST
Inp	981.00		NIST
Inp	985.80		NIST
Inp	989.50		NIST
Inp	979.00		NIST
Inp	997.00		NIST
Inp	980.00		NIST
Inp	990.00		NIST
Inp	1005.00		NIST
Inp	1005.00		NIST
Inp	1005.00		NIST
Inp	994.00		NIST
Inp	1005.00		NIST
Inp	1015.00		NIST
Inp	985.00		NIST
Inp	1005.00		NIST
Inp	1005.00		NIST
Inp	1005.00		NIST
Inp	996.00		NIST
Inp	984.00		NIST
Inp	981.00		NIST
Inp	975.00		NIST
Inp	984.00		NIST
Inp	Outlier 1035.60		NIST
Inp	989.00		NIST
Inp	991.00		NIST
I	[1107.00; 1156.00]
I	1156.00		NIST
I	1111.00		NIST
I	1107.30		NIST
I	1107.00		NIST
I	1156.00		NIST
S°liquid	265.47	J/mol×K	NIST
Tboil	[437.00; 441.07]	K
Tboil	441.07 ± 0.20	K	NIST
Tboil	441.07 ± 0.50	K	NIST
Tboil	440.97 ± 0.50	K	NIST
Tboil	441.01 ± 0.25	K	NIST
Tboil	440.89 ± 0.30	K	NIST
Tboil	440.93 ± 0.30	K	NIST
Tboil	440.93 ± 0.40	K	NIST
Tboil	441.01 ± 0.20	K	NIST
Tboil	Outlier 437.00 ± 3.00	K	NIST
Tc	666.84	K	Relay (1.0) Calculated Property
Tfus	[235.93; 236.45]	K
Tfus	236.45 ± 0.30	K	NIST
Tfus	236.28 ± 0.10	K	NIST
Tfus	236.30 ± 0.10	K	NIST
Tfus	236.45 ± 0.75	K	NIST
Tfus	Outlier 235.93 ± 0.15	K	NIST
Tfus	236.28 ± 0.10	K	NIST
Tfus	236.30 ± 0.08	K	NIST
Tfus	236.45 ± 0.05	K	NIST
Ttriple	[236.48; 236.48]	K
Ttriple	236.48 ± 0.01	K	NIST
Ttriple	236.48 ± 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
Cp,gas	[240.94; 345.88]	J/mol×K	[431.61; 647.88]
Cp,gas	240.94	J/mol×K	431.61	Joback Calculated Property
Cp,gas	261.35	J/mol×K	467.66	Joback Calculated Property
Cp,gas	280.52	J/mol×K	503.70	Joback Calculated Property
Cp,gas	298.50	J/mol×K	539.75	Joback Calculated Property
Cp,gas	315.35	J/mol×K	575.79	Joback Calculated Property
Cp,gas	331.12	J/mol×K	611.84	Joback Calculated Property
Cp,gas	345.88	J/mol×K	647.88	Joback Calculated Property
Cp,liquid	214.18	J/mol×K	298.15	NIST
η	[0.0004581; 0.0026731]	Pa×s	[216.51; 431.61]
η	0.0026731	Pa×s	216.51	Joback Calculated Property
η	0.0016168	Pa×s	252.36	Joback Calculated Property
η	0.0011082	Pa×s	288.21	Joback Calculated Property
η	0.0008258	Pa×s	324.06	Joback Calculated Property
η	0.0006525	Pa×s	359.91	Joback Calculated Property
η	0.0005380	Pa×s	395.76	Joback Calculated Property
η	0.0004581	Pa×s	431.61	Joback Calculated Property
ΔfusH	[0.39; 8.26]	kJ/mol	[182.30; 236.50]
ΔfusH	8.26	kJ/mol	182.30	NIST
ΔfusH	0.39	kJ/mol	184.50	NIST
ΔfusH	1.40	kJ/mol	236.50	NIST
ΔfusH	1.40	kJ/mol	236.50	NIST
ΔfusH	1.40	kJ/mol	236.50	NIST
ΔvapH	[41.90; 47.10]	kJ/mol	[278.00; 413.00]
ΔvapH	47.10	kJ/mol	278.00	NIST
ΔvapH	45.90	kJ/mol	328.00	NIST
ΔvapH	42.60	kJ/mol	396.00	NIST
ΔvapH	41.90	kJ/mol	413.00	NIST
ΔfusS	[2.13; 45.33]	J/mol×K	[182.30; 236.50]
ΔfusS	45.33	J/mol×K	182.30	NIST
ΔfusS	2.13	J/mol×K	184.50	NIST
ΔfusS	5.91	J/mol×K	236.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[321.35; 468.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39968e+01
Coefficient B			-3.49920e+03
Coefficient C			-6.61020e+01
Temperature range, min.			321.35
Temperature range, max.			468.99
Pvap	1.33	kPa	321.35	Calculated Property
Pvap	3.05	kPa	337.75	Calculated Property
Pvap	6.35	kPa	354.16	Calculated Property
Pvap	12.23	kPa	370.56	Calculated Property
Pvap	22.01	kPa	386.97	Calculated Property
Pvap	37.40	kPa	403.37	Calculated Property
Pvap	60.52	kPa	419.78	Calculated Property
Pvap	93.84	kPa	436.18	Calculated Property
Pvap	140.17	kPa	452.59	Calculated Property
Pvap	202.66	kPa	468.99	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
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