Chemical Properties of 1,1'-Diphenyl-1,1'-bicyclopentyl (CAS 59358-70-2)

InChI

InChI=1S/C22H26/c1-3-11-19(12-4-1)21(15-7-8-16-21)22(17-9-10-18-22)20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2

InChI Key

MJIRQUDRSKNXSM-UHFFFAOYSA-N

Formula

C22H26

SMILES

c1ccc(C2(C3(c4ccccc4)CCCC3)CCCC2)cc1

Molecular Weight¹

290.44

CAS

59358-70-2

• 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_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔcH°solid	-12343.00 ± 1.00	kJ/mol	NIST
ΔfG°	421.30	kJ/mol	Joback Calculated Property
ΔfH°gas	111.00 ± 2.20	kJ/mol	NIST
ΔfH°solid	-30.00 ± 1.00	kJ/mol	NIST
ΔfusH°	16.09	kJ/mol	Joback Calculated Property
ΔsubH°	[141.00; 141.00]	kJ/mol
ΔsubH°	141.00	kJ/mol	NIST
ΔsubH°	141.00	kJ/mol	NIST
ΔvapH°	67.33	kJ/mol	Joback Calculated Property
log10WS	-6.37		Crippen Calculated Property
logPoct/wat	6.010		Crippen Calculated Property
McVol	251.600	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Tboil	787.16	K	Joback Calculated Property
Tc	1068.88	K	Joback Calculated Property
Tfus	414.00 ± 1.00	K	NIST
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.90; 942.11]	J/mol×K	[787.16; 1068.88]
Cp,gas	777.90	J/mol×K	787.16	Joback Calculated Property
Cp,gas	804.48	J/mol×K	834.11	Joback Calculated Property
Cp,gas	830.56	J/mol×K	881.07	Joback Calculated Property
Cp,gas	856.76	J/mol×K	928.02	Joback Calculated Property
Cp,gas	883.68	J/mol×K	974.97	Joback Calculated Property
Cp,gas	911.92	J/mol×K	1021.93	Joback Calculated Property
Cp,gas	942.11	J/mol×K	1068.88	Joback Calculated Property
Cp,solid	375.50	J/mol×K	298.00	NIST
ΔfusH	31.38	kJ/mol	414.00	NIST
ΔsubH	141.40	kJ/mol	141.40	NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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