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_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).
• 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	-12343.00 ± 1.00	kJ/mol	NIST
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
IE	8.19	eV	Relay (1.0) Calculated Property
logPoct/wat	6.010		Crippen Calculated Property
McVol	251.600	ml/mol	McGowan Calculated Property
Tboil	655.58	K	Relay (1.0) Calculated Property
Tfus	414.00 ± 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,gas	[778.02; 942.29]	J/mol×K	[787.36; 1069.15]
Cp,gas	778.02	J/mol×K	787.36	Joback Calculated Property
Cp,gas	804.60	J/mol×K	834.33	Joback Calculated Property
Cp,gas	830.69	J/mol×K	881.29	Joback Calculated Property
Cp,gas	856.89	J/mol×K	928.26	Joback Calculated Property
Cp,gas	883.82	J/mol×K	975.22	Joback Calculated Property
Cp,gas	912.09	J/mol×K	1022.19	Joback Calculated Property
Cp,gas	942.29	J/mol×K	1069.15	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

• 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.
These property values are available through the Cheméo API. A free account gives you an access key.