Chemical Properties of Benzylcyclopentane (CAS 4410-78-0)

InChI

InChI=1S/C12H16/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2

InChI Key

WAAUXNSLVPBVRA-UHFFFAOYSA-N

Formula

C12H16

SMILES

c1ccc(CC2CCCC2)cc1

Molecular Weight¹

160.26

CAS

4410-78-0

Other Names

• Benzene, (cyclopentylmethyl)-

• 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).
• 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, 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	[169.56; 503.19]	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			-1.02409e+02
Coefficient B			1.19660e+00
Coefficient C			-7.87600e-04
Coefficient D			1.96600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.56	J/mol×K	273.00	Calculated Property
Cp,gas	231.05	J/mol×K	353.78	Calculated Property
Cp,gas	284.98	J/mol×K	434.56	Calculated Property
Cp,gas	331.98	J/mol×K	515.33	Calculated Property
Cp,gas	372.67	J/mol×K	596.11	Calculated Property
Cp,gas	407.67	J/mol×K	676.89	Calculated Property
Cp,gas	437.60	J/mol×K	757.67	Calculated Property
Cp,gas	463.08	J/mol×K	838.44	Calculated Property
Cp,gas	484.74	J/mol×K	919.22	Calculated Property
Cp,gas	503.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037552; 0.0002696]	Pa×s	[262.32; 523.60]	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			-1.08632e+01
Coefficient B			1.38468e+03
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.			262.32
Temperature range, max.			523.60
η	0.0037552	Pa×s	262.32	Calculated Property
η	0.0022192	Pa×s	291.35	Calculated Property
η	0.0014427	Pa×s	320.38	Calculated Property
η	0.0010074	Pa×s	349.41	Calculated Property
η	0.0007434	Pa×s	378.44	Calculated Property
η	0.0005728	Pa×s	407.48	Calculated Property
η	0.0004569	Pa×s	436.51	Calculated Property
η	0.0003749	Pa×s	465.54	Calculated Property
η	0.0003148	Pa×s	494.57	Calculated Property
η	0.0002696	Pa×s	523.60	Calculated Property

Similar Compounds

Find more compounds similar to Benzylcyclopentane.

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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