Chemical Properties of Tricyclo[8.2.2.2^4,7]hexadeca-6,10,12,13,15-hexaene, 5,6,11,12,13,15-hexamethyl- (CAS 77897-17-7)

InChI

InChI=1S/C22H28/c1-13-14(2)20-8-7-19(13)9-11-21-15(3)17(5)22(12-10-20)18(6)16(21)4/h7-8H,9-12H2,1-6H3

InChI Key

COWSCXIHIVAWAL-UHFFFAOYSA-N

Formula

C22H28

SMILES

Cc1c2ccc(c1C)CCc1c(C)c(C)c(c(C)c1C)CC2

Molecular Weight¹

292.46

CAS

77897-17-7

Other Names

• 2,3,5,2',5',6'-Hexamethyl-[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°	338.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-29.13	kJ/mol	Joback Calculated Property
ΔfusH°	32.67	kJ/mol	Joback Calculated Property
ΔvapH°	74.81	kJ/mol	Joback Calculated Property
IE	[7.00; 7.45]	eV
IE	7.00	eV	NIST
IE	7.45 ± 0.05	eV	NIST
log10WS	-7.41		Crippen Calculated Property
logPoct/wat	5.421		Crippen Calculated Property
McVol	262.460	ml/mol	McGowan Calculated Property
Pc	1479.29	kPa	Joback Calculated Property
Tboil	811.64	K	Joback Calculated Property
Tc	1044.04	K	Joback Calculated Property
Tfus	509.36	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[784.88; 883.54]	J/mol×K	[811.64; 1044.04]
Cp,gas	784.88	J/mol×K	811.64	Joback Calculated Property
Cp,gas	804.22	J/mol×K	850.37	Joback Calculated Property
Cp,gas	822.32	J/mol×K	889.11	Joback Calculated Property
Cp,gas	839.23	J/mol×K	927.84	Joback Calculated Property
Cp,gas	855.02	J/mol×K	966.57	Joback Calculated Property
Cp,gas	869.77	J/mol×K	1005.31	Joback Calculated Property
Cp,gas	883.54	J/mol×K	1044.04	Joback Calculated Property
η	[0.0001406; 0.0005999]	Pa×s	[509.36; 811.64]
η	0.0005999	Pa×s	509.36	Joback Calculated Property
η	0.0004225	Pa×s	559.74	Joback Calculated Property
η	0.0003153	Pa×s	610.12	Joback Calculated Property
η	0.0002461	Pa×s	660.50	Joback Calculated Property
η	0.0001989	Pa×s	710.88	Joback Calculated Property
η	0.0001653	Pa×s	761.26	Joback Calculated Property
η	0.0001406	Pa×s	811.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[8.2.2.2^4,7]hexadeca-6,10,12,13,15-hexaene, 5,6,11,12,13,15-hexamethyl-.

Sources

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

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