Chemical Properties of 4,7-Methano-1H-indene, octahydro- (CAS 6004-38-2)

InChI

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

InChI Key

LPSXSORODABQKT-UHFFFAOYSA-N

Formula

C10H16

SMILES

C1CC2C3CCC(C3)C2C1

Molecular Weight¹

136.23

CAS

6004-38-2

Other Names

• 4,7-Methanoindan, hexahydro-
• Octahydro-4,7-methano indene
• Tricyclo[5.1.0-2.6]decane
• Tetrahydrodicyclopentadiene
• Bicyclo(2.2.1)heptane, 2,3-(1,3-propanediyl)-
• Hexahydro-4,7-methanoindan
• Norbornane, 2,3-trimethylene-
• Tetrahydrocyclopentadiene dimer
• Tricyclo(5.2.1.0(2,6))decane
• Tricyclo[5.2.1.0(sup2,6)]decane
• Trimethylenenorbornane
• 2,3-Trimethylenenorbornane
• NSC 22464
• Octahydro-4,7-methano-1H-indene
• Hexadyro, 4,7-methaneindene
• tricyclo[5.2.1.02,6]decane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid 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_subH° : Enthalpy of sublimation at standard conditions (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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point 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°solid	[-6109.00; -6084.40]	kJ/mol
ΔcH°solid	-6109.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-6084.40	kJ/mol	NIST
ΔfH°gas	-60.20 ± 3.80	kJ/mol	NIST
ΔfH°solid	-113.10 ± 2.50	kJ/mol	NIST
ΔfusH°	15.03	kJ/mol	Joback Calculated Property
ΔsubH°	[52.90; 53.00]	kJ/mol
ΔsubH°	53.00 ± 1.00	kJ/mol	NIST
ΔsubH°	52.90	kJ/mol	NIST
ΔsubH°	52.90 ± 1.30	kJ/mol	NIST
ΔsubH°	53.00 ± 1.00	kJ/mol	NIST
ΔsubH°	52.90	kJ/mol	NIST
ΔsubH°	52.90 ± 1.30	kJ/mol	NIST
ΔvapH°	49.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	NIST
logPoct/wat	2.833		Crippen Calculated Property
McVol	119.180	ml/mol	McGowan Calculated Property
Inp	[1077.60; 1078.00]
Inp	1077.60		NIST
Inp	1078.00		NIST
Ip	[1243.00; 1243.40]
Ip	1243.40		NIST
Ip	1243.00		NIST
Ip	1243.40		NIST
Tboil	459.08	K	Relay (1.0) Calculated Property
Tfus	[352.00; 352.00]	K
Tfus	352.00 ± 1.00	K	NIST
Tfus	352.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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
Cp,solid	241.40	J/mol×K	329.00	NIST
ΔfusH	[2.95; 3.07]	kJ/mol	[345.30; 352.00]
ΔfusH	3.07	kJ/mol	345.30	NIST
ΔfusH	2.95	kJ/mol	352.00	NIST
ΔfusH	2.95	kJ/mol	352.00	NIST
ΔfusH	2.95	kJ/mol	352.00	NIST
ΔfusH	2.95	kJ/mol	352.00	NIST
ΔvapH	[43.50; 46.00]	kJ/mol	[411.50; 425.50]
ΔvapH	43.50	kJ/mol	411.50	NIST
ΔvapH	46.00	kJ/mol	425.50	NIST
ΔfusS	[8.40; 8.40]	J/mol×K	[352.00; 352.00]
ΔfusS	8.40	J/mol×K	352.00	NIST
ΔfusS	8.40	J/mol×K	352.00	NIST

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	[0.0009041; 0.0011324]	Pa×s	[352.00; 463.34]	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.			352.00
Temperature range, max.			463.34
η	0.0009041	Pa×s	352.00	Calculated Property
η	0.0009334	Pa×s	364.37	Calculated Property
η	0.0009615	Pa×s	376.74	Calculated Property
η	0.0009887	Pa×s	389.11	Calculated Property
η	0.0010148	Pa×s	401.49	Calculated Property
η	0.0010400	Pa×s	413.86	Calculated Property
η	0.0010644	Pa×s	426.23	Calculated Property
η	0.0010879	Pa×s	438.60	Calculated Property
η	0.0011105	Pa×s	450.97	Calculated Property
η	0.0011324	Pa×s	463.34	Calculated Property

Similar Compounds

Find more compounds similar to 4,7-Methano-1H-indene, octahydro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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