Chemical Properties of 2,6-Dimethylbicyclo[3.2.1]octane

InChI

InChI=1S/C10H18/c1-7-3-4-9-6-10(7)5-8(9)2/h7-10H,3-6H2,1-2H3

InChI Key

DRLUAQMFPMRPMU-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC1CC2CC1CCC2C

Molecular Weight¹

138.25

• 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_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).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-132.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.87	kJ/mol	Joback Calculated Property
ΔvapH°	52.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	130.040	ml/mol	McGowan Calculated Property
Inp	[1139.00; 1179.00]
Inp	1179.00		NIST
Inp	1139.00		NIST
Tboil	448.57	K	Relay (1.0) Calculated Property
Tfus	262.55	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.48; 511.59]	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			-1.05050e+02
Coefficient B			1.18344e+00
Coefficient C			-7.57000e-04
Coefficient D			1.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.48	J/mol×K	273.00	Calculated Property
Cp,gas	227.30	J/mol×K	353.78	Calculated Property
Cp,gas	281.88	J/mol×K	434.56	Calculated Property
Cp,gas	329.81	J/mol×K	515.33	Calculated Property
Cp,gas	371.70	J/mol×K	596.11	Calculated Property
Cp,gas	408.15	J/mol×K	676.89	Calculated Property
Cp,gas	439.77	J/mol×K	757.67	Calculated Property
Cp,gas	467.14	J/mol×K	838.44	Calculated Property
Cp,gas	490.88	J/mol×K	919.22	Calculated Property
Cp,gas	511.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007333; 0.0005192]	Pa×s	[222.82; 451.92]	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			-7.89891e+00
Coefficient B			1.51720e+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.			222.82
Temperature range, max.			451.92
η	0.0007333	Pa×s	222.82	Calculated Property
η	0.0006838	Pa×s	248.28	Calculated Property
η	0.0006460	Pa×s	273.73	Calculated Property
η	0.0006163	Pa×s	299.19	Calculated Property
η	0.0005923	Pa×s	324.64	Calculated Property
η	0.0005725	Pa×s	350.10	Calculated Property
η	0.0005559	Pa×s	375.55	Calculated Property
η	0.0005418	Pa×s	401.01	Calculated Property
η	0.0005297	Pa×s	426.46	Calculated Property
η	0.0005192	Pa×s	451.92	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dimethylbicyclo[3.2.1]octane.

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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