Chemical Properties of 1,1'-Diphenyl-1,1'-bicyclooctyl (CAS 59358-73-5)

InChI

InChI=1S/C28H38/c1-3-13-21-27(22-14-4-1,25-17-9-7-10-18-25)28(26-19-11-8-12-20-26)23-15-5-2-6-16-24-28/h7-12,17-20H,1-6,13-16,21-24H2

InChI Key

SKPRQLZOAQUBAG-UHFFFAOYSA-N

Formula

C28H38

SMILES

c1ccc(C2(C3(c4ccccc4)CCCCCCC3)CCCCCCC2)cc1

Molecular Weight¹

374.60

CAS

59358-73-5

• 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	-16344.10 ± 2.30	kJ/mol	NIST
ΔfH°gas	69.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-104.90 ± 2.30	kJ/mol	NIST
ΔfusH°	19.03	kJ/mol	Joback Calculated Property
ΔsubH°	[173.90; 174.00]	kJ/mol
ΔsubH°	174.00	kJ/mol	NIST
ΔsubH°	173.90	kJ/mol	NIST
IE	8.04	eV	Relay (1.0) Calculated Property
logPoct/wat	8.351		Crippen Calculated Property
McVol	336.140	ml/mol	McGowan Calculated Property
Tboil	738.29	K	Relay (1.0) Calculated Property
Tfus	455.61	K	Relay (1.0) Calculated Property

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	[1184.10; 1396.90]	J/mol×K	[950.26; 1239.17]
Cp,gas	1184.10	J/mol×K	950.26	Joback Calculated Property
Cp,gas	1217.65	J/mol×K	998.41	Joback Calculated Property
Cp,gas	1251.19	J/mol×K	1046.56	Joback Calculated Property
Cp,gas	1285.30	J/mol×K	1094.71	Joback Calculated Property
Cp,gas	1320.57	J/mol×K	1142.86	Joback Calculated Property
Cp,gas	1357.57	J/mol×K	1191.02	Joback Calculated Property
Cp,gas	1396.90	J/mol×K	1239.17	Joback Calculated Property
Cp,solid	453.80	J/mol×K	298.00	NIST
ΔfusH	35.98	kJ/mol	432.00	NIST

Similar Compounds

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

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

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