Chemical Properties of (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-octahydro-4,7-methano-1H-indene (CAS 2825-83-4)

InChI

InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9-,10+

InChI Key

LPSXSORODABQKT-YNFQOJQRSA-N

Formula

C10H16

SMILES

C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1

Molecular Weight¹

136.24

CAS

2825-83-4

Other Names

• 4,7-methano-1H-indene, octahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
• 4,7-methanoindan, hexahydro-, endo-
• Dicyclopentadiene, tetrahydro, exo
• endo tetrahydrodicyclopentadiene
• endo-tetrahydrodicyclopentadiene
• endo-tricyclo[5.2.1.0(2,6)]decane
• exo-Tetrahydrodicyclopentadiene
• Endo-tricyclo[5.2.1.0(2.6)]decane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2841		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfH°gas	39.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.03	kJ/mol	Joback Calculated Property
ΔvapH°	49.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	119.180	ml/mol	McGowan Calculated Property
Pc	3733.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[1044.00; 1044.00]
Inp	1044.00		NIST
Inp	1044.00		NIST
Tboil	441.30	K	Relay (1.0) Calculated Property
Tc	698.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	255.03	K	Relay (1.0) Calculated Property
Vc	0.285	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, 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
ΔfusH	3.48	kJ/mol	356.80	NIST
Pvap	[2.00; 101.60]	kPa	[344.02; 463.60]
Pvap	2.00	kPa	344.02	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	3.50	kPa	358.17	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	5.00	kPa	367.23	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	10.00	kPa	384.68	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	15.00	kPa	396.77	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	20.00	kPa	405.51	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	25.00	kPa	412.50	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	30.00	kPa	418.51	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	35.00	kPa	423.84	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	40.00	kPa	428.42	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	45.00	kPa	432.64	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	50.00	kPa	436.48	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	55.00	kPa	440.06	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	60.00	kPa	443.43	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	65.00	kPa	446.40	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	75.00	kPa	451.93	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	80.00	kPa	454.45	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	85.00	kPa	456.82	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	90.00	kPa	458.86	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	95.00	kPa	460.90	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	100.00	kPa	462.76	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
Pvap	101.60	kPa	463.60	Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.66; 482.89]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.56110e+02
Coefficient B			1.37040e+00
Coefficient C			-1.07900e-03
Coefficient D			3.47600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.66	J/mol×K	273.00	Calculated Property
Cp,gas	209.05	J/mol×K	353.78	Calculated Property
Cp,gas	264.17	J/mol×K	434.56	Calculated Property
Cp,gas	311.13	J/mol×K	515.33	Calculated Property
Cp,gas	351.01	J/mol×K	596.11	Calculated Property
Cp,gas	384.93	J/mol×K	676.89	Calculated Property
Cp,gas	413.97	J/mol×K	757.67	Calculated Property
Cp,gas	439.25	J/mol×K	838.44	Calculated Property
Cp,gas	461.86	J/mol×K	919.22	Calculated Property
Cp,gas	482.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006121; 0.0011749]	Pa×s	[248.52; 488.60]	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			-6.07160e+00
Coefficient B			-3.29800e+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.			248.52
Temperature range, max.			488.60
η	0.0006121	Pa×s	248.52	Calculated Property
η	0.0006961	Pa×s	275.20	Calculated Property
η	0.0007739	Pa×s	301.87	Calculated Property
η	0.0008456	Pa×s	328.55	Calculated Property
η	0.0009119	Pa×s	355.22	Calculated Property
η	0.0009729	Pa×s	381.90	Calculated Property
η	0.0010294	Pa×s	408.57	Calculated Property
η	0.0010816	Pa×s	435.25	Calculated Property
η	0.0011300	Pa×s	461.92	Calculated Property
η	0.0011749	Pa×s	488.60	Calculated Property

Similar Compounds

Find more compounds similar to (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-octahydro-4,7-methano-1H-indene.

Mixtures

• (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-octahydro-4,7-methano-1H-indene

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor liquid equilibrium, densities and viscosities for the binary system exo- and endo-tetrahydrodicyclopentadiene and pure component vapor pressures
• Joback Method
• McGowan Method
• NIST Webbook

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