Chemical Properties of Tricyclo[8.2.2.2^4,7]octadeca-4,6,10,12,13,15,17-heptaene- (CAS 84954-88-1)

InChI

InChI=1S/C18H18/c1-2-4-16-6-5-15(3-1)7-9-17-11-13-18(10-8-16)14-12-17/h1-6,11-14H,7-10H2/b2-1-,3-1-,4-2-,6-5-,15-3+,15-5+,16-4+,16-6+

InChI Key

VRGLNGRQXLSACG-IGWMJARQSA-N

Formula

C18H18

SMILES

C1=CC=C2C=CC(=C1)CCc1ccc(cc1)CC2

Molecular Weight¹

234.34

CAS

84954-88-1

Other Names

• [2.2]1,6-Cyclooctatetraenyl-1,4-cyclophane
• Tricyclo[8.2.2.2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.3365		Relay (... Calculated Property
ΔfG°	368.36	kJ/mol	Joback Calculated Property
ΔfH°gas	328.54	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.67	kJ/mol	Joback Calculated Property
ΔvapH°	90.23	kJ/mol	Relay (... Calculated Property
IE	[7.30; 7.65]	eV
IE	7.30	eV	NIST
IE	7.65	eV	NIST
log10WS	-5.41		Relay (... Calculated Property
logPoct/wat	4.544		Crippen Calculated Property
McVol	201.800	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Tboil	626.14	K	Relay (... Calculated Property
Tc	881.83	K	Relay (... Calculated Property
Tfus	437.27	K	Relay (... Calculated Property
Vc	0.682	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.10; 642.17]	J/mol×K	[697.94; 962.92]
Cp,gas	544.10	J/mol×K	697.94	Joback Calculated Property
Cp,gas	564.50	J/mol×K	742.10	Joback Calculated Property
Cp,gas	583.11	J/mol×K	786.27	Joback Calculated Property
Cp,gas	600.05	J/mol×K	830.43	Joback Calculated Property
Cp,gas	615.46	J/mol×K	874.59	Joback Calculated Property
Cp,gas	629.46	J/mol×K	918.76	Joback Calculated Property
Cp,gas	642.17	J/mol×K	962.92	Joback Calculated Property
η	[0.0001126; 0.0015907]	Pa×s	[382.88; 697.94]
η	0.0015907	Pa×s	382.88	Joback Calculated Property
η	0.0007841	Pa×s	435.39	Joback Calculated Property
η	0.0004501	Pa×s	487.90	Joback Calculated Property
η	0.0002878	Pa×s	540.41	Joback Calculated Property
η	0.0001991	Pa×s	592.92	Joback Calculated Property
η	0.0001463	Pa×s	645.43	Joback Calculated Property
η	0.0001126	Pa×s	697.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[8.2.2.2^4,7]octadeca-4,6,10,12,13,15,17-heptaene-.

Sources

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

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