Chemical Properties of trans-1,4-dibenzylcyclohexane (CAS 128484-66-2)

InChI

InChI=1S/C20H24/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2

InChI Key

XUABFDHAIDJKOQ-UHFFFAOYSA-N

Formula

C20H24

SMILES

c1ccc(CC2CCC(Cc3ccccc3)CC2)cc1

Molecular Weight¹

264.40

CAS

128484-66-2

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.39; 805.83]	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			-1.42768e+02
Coefficient B			1.84160e+00
Coefficient C			-1.15220e-03
Coefficient D			2.59200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.39	J/mol×K	273.00	Calculated Property
Cp,gas	376.02	J/mol×K	353.78	Calculated Property
Cp,gas	461.20	J/mol×K	434.56	Calculated Property
Cp,gas	535.76	J/mol×K	515.33	Calculated Property
Cp,gas	600.50	J/mol×K	596.11	Calculated Property
Cp,gas	656.26	J/mol×K	676.89	Calculated Property
Cp,gas	703.86	J/mol×K	757.67	Calculated Property
Cp,gas	744.10	J/mol×K	838.44	Calculated Property
Cp,gas	777.82	J/mol×K	919.22	Calculated Property
Cp,gas	805.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021326; 0.0001542]	Pa×s	[371.14; 682.48]	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			-1.19085e+01
Coefficient B			2.13706e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			371.14
Temperature range, max.			682.48
η	0.0021326	Pa×s	371.14	Calculated Property
η	0.0013053	Pa×s	405.73	Calculated Property
η	0.0008630	Pa×s	440.33	Calculated Property
η	0.0006060	Pa×s	474.92	Calculated Property
η	0.0004465	Pa×s	509.51	Calculated Property
η	0.0003420	Pa×s	544.10	Calculated Property
η	0.0002704	Pa×s	578.70	Calculated Property
η	0.0002196	Pa×s	613.29	Calculated Property
η	0.0001823	Pa×s	647.88	Calculated Property
η	0.0001542	Pa×s	682.48	Calculated Property

Similar Compounds

Find more compounds similar to trans-1,4-dibenzylcyclohexane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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