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

• ω : Acentric Factor.
• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Property	Value	Unit	Source
ω	0.4423		Relay (1.0) Calculated Property
ΔcH°solid	-13624.80 ± 1.60	kJ/mol	NIST
ΔfG°	413.94	kJ/mol	Joback Calculated Property
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
ΔvapH°	106.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-7.22		Relay (1.0) Calculated Property
logPoct/wat	6.791		Crippen Calculated Property
McVol	279.780	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Tboil	684.51	K	Relay (1.0) Calculated Property
Tc	936.24	K	Relay (1.0) Calculated Property
Tfus	455.00 ± 1.00	K	NIST
Vc	0.991	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.46; 1090.80]	J/mol×K	[841.46; 1125.89]
Cp,gas	907.46	J/mol×K	841.46	Joback Calculated Property
Cp,gas	936.72	J/mol×K	888.86	Joback Calculated Property
Cp,gas	965.70	J/mol×K	936.27	Joback Calculated Property
Cp,gas	995.00	J/mol×K	983.67	Joback Calculated Property
Cp,gas	1025.21	J/mol×K	1031.08	Joback Calculated Property
Cp,gas	1056.95	J/mol×K	1078.48	Joback Calculated Property
Cp,gas	1090.80	J/mol×K	1125.89	Joback Calculated Property
Cp,solid	403.80	J/mol×K	298.00	NIST
ΔfusH	29.71	kJ/mol	455.00	NIST

Similar Compounds

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

Sources

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

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