Chemical Properties of Bicyclo[2.2.2]octane, 2-chloro- (CAS 33649-79-5)

InChI

InChI=1S/C8H13Cl/c9-8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2

InChI Key

PTVXDQZENDCNDA-UHFFFAOYSA-N

Formula

C8H13Cl

SMILES

ClC1CC2CCC1CC2

Molecular Weight¹

144.64

CAS

33649-79-5

Other Names

• 2-Chlorobicyclo[2.2.2]octane

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[134.19; 410.02]	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			-9.62800e+01
Coefficient B			1.02670e+00
Coefficient C			-7.24000e-04
Coefficient D			2.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.19	J/mol×K	273.00	Calculated Property
Cp,gas	185.34	J/mol×K	353.78	Calculated Property
Cp,gas	229.87	J/mol×K	434.56	Calculated Property
Cp,gas	268.41	J/mol×K	515.33	Calculated Property
Cp,gas	301.60	J/mol×K	596.11	Calculated Property
Cp,gas	330.10	J/mol×K	676.89	Calculated Property
Cp,gas	354.55	J/mol×K	757.67	Calculated Property
Cp,gas	375.59	J/mol×K	838.44	Calculated Property
Cp,gas	393.87	J/mol×K	919.22	Calculated Property
Cp,gas	410.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012972; 0.0005849]	Pa×s	[234.44; 458.19]	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			-8.27872e+00
Coefficient B			3.82410e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			234.44
Temperature range, max.			458.19
η	0.0012972	Pa×s	234.44	Calculated Property
η	0.0011094	Pa×s	259.30	Calculated Property
η	0.0009751	Pa×s	284.16	Calculated Property
η	0.0008750	Pa×s	309.02	Calculated Property
η	0.0007980	Pa×s	333.88	Calculated Property
η	0.0007371	Pa×s	358.74	Calculated Property
η	0.0006879	Pa×s	383.60	Calculated Property
η	0.0006474	Pa×s	408.47	Calculated Property
η	0.0006136	Pa×s	433.33	Calculated Property
η	0.0005849	Pa×s	458.19	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octane, 2-chloro-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.