Chemical Properties of 1,1'-Diphenyl-1,1'-bicyclohexyl (CAS 59358-71-3)

InChI

InChI=1S/C24H30/c1-5-13-21(14-6-1)23(17-9-3-10-18-23)24(19-11-4-12-20-24)22-15-7-2-8-16-22/h1-2,5-8,13-16H,3-4,9-12,17-20H2

InChI Key

SZGBUFROANKUNE-UHFFFAOYSA-N

Formula

C24H30

SMILES

c1ccc(C2(C3(c4ccccc4)CCCCC3)CCCCC2)cc1

Molecular Weight¹

318.50

CAS

59358-71-3

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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

Property	Value	Unit	Source
ΔcH°solid	-13624.80 ± 1.60	kJ/mol	NIST
ΔfH°gas	44.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-106.90 ± 1.60	kJ/mol	NIST
ΔfusH°	17.07	kJ/mol	Joback Calculated Property
ΔsubH°	[150.00; 150.90]	kJ/mol
ΔsubH°	150.00	kJ/mol	NIST
ΔsubH°	150.90	kJ/mol	NIST
ΔsubH°	150.00	kJ/mol	NIST
ΔsubH°	150.90	kJ/mol	NIST
IE	8.14	eV	Relay (1.0) Calculated Property
logPoct/wat	6.791		Crippen Calculated Property
McVol	279.780	ml/mol	McGowan Calculated Property
Tboil	684.51	K	Relay (1.0) Calculated Property
Tfus	[455.00; 455.00]	K
Tfus	455.00 ± 1.00	K	NIST
Tfus	455.00 ± 1.00	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	403.80	J/mol×K	298.00	NIST
ΔfusH	[29.71; 29.71]	kJ/mol	[455.00; 455.00]
ΔfusH	29.71	kJ/mol	455.00	NIST
ΔfusH	29.71	kJ/mol	455.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.01; 1005.27]	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			-3.17930e+02
Coefficient B			2.95400e+00
Coefficient C			-2.57140e-03
Coefficient D			9.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.01	J/mol×K	273.00	Calculated Property
Cp,gas	446.94	J/mol×K	353.78	Calculated Property
Cp,gas	557.35	J/mol×K	434.56	Calculated Property
Cp,gas	650.21	J/mol×K	515.33	Calculated Property
Cp,gas	728.48	J/mol×K	596.11	Calculated Property
Cp,gas	795.15	J/mol×K	676.89	Calculated Property
Cp,gas	853.19	J/mol×K	757.67	Calculated Property
Cp,gas	905.57	J/mol×K	838.44	Calculated Property
Cp,gas	955.28	J/mol×K	919.22	Calculated Property
Cp,gas	1005.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Diphenyl-1,1'-bicyclohexyl.

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.
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