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

• 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	0.4588		Relay (1.0) Calculated Property
ΔcH°solid	-16344.10 ± 2.30	kJ/mol	NIST
ΔfG°	399.22	kJ/mol	Joback Calculated Property
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
ΔvapH°	118.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-8.09		Relay (1.0) Calculated Property
logPoct/wat	8.351		Crippen Calculated Property
McVol	336.140	ml/mol	McGowan Calculated Property
Pc	1430.46	kPa	Joback Calculated Property
Tboil	738.29	K	Relay (1.0) Calculated Property
Tc	983.24	K	Relay (1.0) Calculated Property
Tfus	460.25	K	Relay (1.0) Calculated Property
Vc	1.158	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1183.96; 1396.68]	J/mol×K	[950.06; 1238.91]
Cp,gas	1183.96	J/mol×K	950.06	Joback Calculated Property
Cp,gas	1217.50	J/mol×K	998.20	Joback Calculated Property
Cp,gas	1251.03	J/mol×K	1046.34	Joback Calculated Property
Cp,gas	1285.13	J/mol×K	1094.48	Joback Calculated Property
Cp,gas	1320.39	J/mol×K	1142.62	Joback Calculated Property
Cp,gas	1357.37	J/mol×K	1190.76	Joback Calculated Property
Cp,gas	1396.68	J/mol×K	1238.91	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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