Chemical Properties of Bicyclo[3.2.1]oct-2-ene, 3-chloro- (CAS 35242-17-2)

InChI

InChI=1S/C8H11Cl/c9-8-4-6-1-2-7(3-6)5-8/h4,6-7H,1-3,5H2

InChI Key

XLVAWKKCOIWHBT-UHFFFAOYSA-N

Formula

C8H11Cl

SMILES

ClC1=CC2CCC(C1)C2

Molecular Weight¹

142.63

CAS

35242-17-2

Other Names

• 3-Chlorobicyclo[3.2.1]oct-2-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.00; 369.02]	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			-8.01400e+01
Coefficient B			9.37700e-01
Coefficient C			-6.99640e-04
Coefficient D			2.11100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.00	J/mol×K	273.00	Calculated Property
Cp,gas	173.38	J/mol×K	353.78	Calculated Property
Cp,gas	212.55	J/mol×K	434.56	Calculated Property
Cp,gas	246.18	J/mol×K	515.33	Calculated Property
Cp,gas	274.93	J/mol×K	596.11	Calculated Property
Cp,gas	299.49	J/mol×K	676.89	Calculated Property
Cp,gas	320.51	J/mol×K	757.67	Calculated Property
Cp,gas	338.66	J/mol×K	838.44	Calculated Property
Cp,gas	354.60	J/mol×K	919.22	Calculated Property
Cp,gas	369.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013355; 0.0005520]	Pa×s	[251.96; 467.25]	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			-8.53575e+00
Coefficient B			4.83080e+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.			251.96
Temperature range, max.			467.25
η	0.0013355	Pa×s	251.96	Calculated Property
η	0.0011309	Pa×s	275.88	Calculated Property
η	0.0009835	Pa×s	299.80	Calculated Property
η	0.0008731	Pa×s	323.72	Calculated Property
η	0.0007879	Pa×s	347.65	Calculated Property
η	0.0007204	Pa×s	371.57	Calculated Property
η	0.0006660	Pa×s	395.49	Calculated Property
η	0.0006211	Pa×s	419.41	Calculated Property
η	0.0005837	Pa×s	443.33	Calculated Property
η	0.0005520	Pa×s	467.25	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.2.1]oct-2-ene, 3-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

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