Chemical Properties of Bicyclo[2.2.1]heptane, 2-ethyl- (CAS 2146-41-0)

InChI

InChI=1S/C9H16/c1-2-8-5-7-3-4-9(8)6-7/h7-9H,2-6H2,1H3

InChI Key

DEMFSGPWYVAINM-UHFFFAOYSA-N

Formula

C9H16

SMILES

CCC1CC2CCC1C2

Molecular Weight¹

124.22

CAS

2146-41-0

Other Names

• Norbornane, 2-ethyl-
• 2-Ethylbicyclo[2.2.1]heptane
• 5-Ethylnorbornane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5688.00 ± 1.80	kJ/mol	NIST
ΔfH°gas	-99.63	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-140.30 ± 1.90	kJ/mol	NIST
ΔfusH°	14.31	kJ/mol	Joback Calculated Property
ΔvapH°	47.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	115.950	ml/mol	McGowan Calculated Property
Inp	[915.90; 919.90]
Inp	919.90		NIST
Inp	915.90		NIST
Inp	919.90		NIST
Ip	1015.10		NIST
Tboil	427.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.89; 451.56]	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			-1.04959e+02
Coefficient B			1.12452e+00
Coefficient C			-8.04400e-04
Coefficient D			2.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.89	J/mol×K	273.00	Calculated Property
Cp,gas	202.66	J/mol×K	353.78	Calculated Property
Cp,gas	251.20	J/mol×K	434.56	Calculated Property
Cp,gas	293.27	J/mol×K	515.33	Calculated Property
Cp,gas	329.61	J/mol×K	596.11	Calculated Property
Cp,gas	360.97	J/mol×K	676.89	Calculated Property
Cp,gas	388.10	J/mol×K	757.67	Calculated Property
Cp,gas	411.74	J/mol×K	838.44	Calculated Property
Cp,gas	432.65	J/mol×K	919.22	Calculated Property
Cp,gas	451.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006635; 0.0005398]	Pa×s	[219.31; 432.34]	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			-7.73689e+00
Coefficient B			9.18800e+01
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.			219.31
Temperature range, max.			432.34
η	0.0006635	Pa×s	219.31	Calculated Property
η	0.0006370	Pa×s	242.98	Calculated Property
η	0.0006160	Pa×s	266.65	Calculated Property
η	0.0005989	Pa×s	290.32	Calculated Property
η	0.0005848	Pa×s	313.99	Calculated Property
η	0.0005729	Pa×s	337.66	Calculated Property
η	0.0005628	Pa×s	361.33	Calculated Property
η	0.0005541	Pa×s	385.00	Calculated Property
η	0.0005465	Pa×s	408.67	Calculated Property
η	0.0005398	Pa×s	432.34	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane, 2-ethyl-.

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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