Chemical Properties of 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).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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 : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-5652.00; -5640.90]	kJ/mol
ΔcH°liquid	-5652.00 ± 1.70	kJ/mol	NIST
ΔcH°liquid	-5640.90 ± 5.90	kJ/mol	NIST
ΔfG°	110.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.60 ± 2.10	kJ/mol	NIST
ΔfH°liquid	-176.40 ± 1.70	kJ/mol	NIST
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	[44.80; 44.80]	kJ/mol
ΔvapH°	44.80 ± 1.30	kJ/mol	NIST
ΔvapH°	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	-2.90		Crippen 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	[947.70; 1001.90]
Inp	Outlier 1001.90		NIST
Inp	Outlier 999.80		NIST
Inp	949.80		NIST
Inp	980.00		NIST
Inp	955.00		NIST
Inp	961.00		NIST
Inp	947.70		NIST
Inp	952.00		NIST
Inp	955.30		NIST
Inp	947.70		NIST
Inp	952.00		NIST
Inp	955.30		NIST
Inp	948.00		NIST
Inp	964.00		NIST
Inp	950.00		NIST
Inp	955.00		NIST
Inp	964.00		NIST
I	[1059.00; 1059.30]
I	1059.30		NIST
I	1059.00		NIST
I	1059.00		NIST
S°liquid	258.86	J/mol×K	NIST
Tboil	[434.17; 434.24]	K
Tboil	434.23 ± 0.02	K	NIST
Tboil	434.21 ± 0.15	K	NIST
Tboil	434.21 ± 0.20	K	NIST
Tboil	Outlier 434.17 ± 0.10	K	NIST
Tboil	434.24 ± 0.20	K	NIST
Tboil	434.24 ± 0.30	K	NIST
Tboil	434.21 ± 0.30	K	NIST
Tboil	434.21 ± 0.20	K	NIST
Tboil	434.21 ± 0.20	K	NIST
Tc	647.88	K	Joback Calculated Property
Tfus	216.51	K	Joback Calculated Property
Ttriple	[213.80; 213.86]	K
Ttriple	213.86 ± 0.01	K	NIST
Ttriple	213.80 ± 0.20	K	NIST
Vc	0.429	m3/kmol	Joback Calculated Property

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	209.70	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	[10.90; 10.91]	kJ/mol	[213.86; 213.90]
ΔfusH	10.91	kJ/mol	213.86	NIST
ΔfusH	10.90	kJ/mol	213.90	NIST
ΔvapH	[41.00; 45.90]	kJ/mol	[272.50; 418.50]
ΔvapH	45.90	kJ/mol	272.50	NIST
ΔvapH	45.10	kJ/mol	321.50	NIST
ΔvapH	41.60	kJ/mol	390.00	NIST
ΔvapH	41.10	kJ/mol	406.50	NIST
ΔvapH	41.00	kJ/mol	418.50	NIST
ΔfusS	50.99	J/mol×K	213.86	NIST

Similar Compounds

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

Sources

• 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

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