Chemical Properties of Tricyclo[8.2.2.2^4,4]hexadeca-5,6,10,12,13,15-hexaene, 5,6,11,12,13,14,15-octamethyl- (CAS 77897-20-2)

InChI

InChI=1S/C24H32/c1-13-14(2)22-11-12-24-19(7)17(5)23(18(6)20(24)8)10-9-21(13)15(3)16(22)4/h9-12H2,1-8H3

InChI Key

RLLDLOKLZDZVGV-UHFFFAOYSA-N

Formula

C24H32

SMILES

Cc1c(C)c2c(C)c(C)c1CCc1c(C)c(C)c(c(C)c1C)CC2

Molecular Weight¹

320.51

CAS

77897-20-2

Other Names

• 2,3,5,6,2',3',5',6'-Octamethyl[2.2]paracyclophane
• Tricyclo[8.2.2.2

• 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
ΔfG°	336.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.35	kJ/mol	Joback Calculated Property
ΔfusH°	37.07	kJ/mol	Joback Calculated Property
ΔvapH°	80.58	kJ/mol	Joback Calculated Property
IE	[6.90; 7.15]	eV
IE	6.90	eV	NIST
IE	7.15 ± 0.05	eV	NIST
log10WS	-8.36		Crippen Calculated Property
logPoct/wat	6.038		Crippen Calculated Property
McVol	290.640	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Tboil	867.36	K	Joback Calculated Property
Tc	1095.41	K	Joback Calculated Property
Tfus	556.94	K	Joback Calculated Property
Vc	1.113	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[902.76; 1001.19]	J/mol×K	[867.36; 1095.41]
Cp,gas	902.76	J/mol×K	867.36	Joback Calculated Property
Cp,gas	922.08	J/mol×K	905.37	Joback Calculated Property
Cp,gas	940.16	J/mol×K	943.38	Joback Calculated Property
Cp,gas	957.05	J/mol×K	981.39	Joback Calculated Property
Cp,gas	972.82	J/mol×K	1019.40	Joback Calculated Property
Cp,gas	987.51	J/mol×K	1057.40	Joback Calculated Property
Cp,gas	1001.19	J/mol×K	1095.41	Joback Calculated Property
η	[0.0001179; 0.0004457]	Pa×s	[556.94; 867.36]
η	0.0004457	Pa×s	556.94	Joback Calculated Property
η	0.0003250	Pa×s	608.68	Joback Calculated Property
η	0.0002490	Pa×s	660.41	Joback Calculated Property
η	0.0001983	Pa×s	712.15	Joback Calculated Property
η	0.0001629	Pa×s	763.89	Joback Calculated Property
η	0.0001371	Pa×s	815.62	Joback Calculated Property
η	0.0001179	Pa×s	867.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[8.2.2.2^4,4]hexadeca-5,6,10,12,13,15-hexaene, 5,6,11,12,13,14,15-octamethyl-.

Sources

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

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