Chemical Properties of Tricyclo[8.2.2.2^4,7]hexadeca-4,6,10,12,13,15-hexaene,5,11,13,15-tetramethyl-,stereoisomer (CAS 35233-71-7)

InChI

InChI=1S/C20H24/c1-13-9-17-5-6-18-11-15(3)20(16(4)12-18)8-7-19(13)14(2)10-17/h9-12H,5-8H2,1-4H3

InChI Key

LBFPZAXQCRQAOQ-UHFFFAOYSA-N

Formula

C20H24

SMILES

Cc1cc2cc(C)c1CCc1c(C)cc(cc1C)CC2

Molecular Weight¹

264.40

CAS

35233-71-7

Other Names

• 2,5,2',5'-Tetramethyl-[2.2]paracyclophane
• 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	0.5982		Relay (... Calculated Property
ΔfG°	340.92	kJ/mol	Joback Calculated Property
ΔfH°gas	83.99	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.27	kJ/mol	Joback Calculated Property
ΔvapH°	102.21	kJ/mol	Relay (... Calculated Property
IE	[7.20; 7.75]	eV
IE	7.20	eV	NIST
IE	7.75 ± 0.05	eV	NIST
IE	7.52	eV	NIST
log10WS	-7.45		Relay (... Calculated Property
logPoct/wat	4.804		Crippen Calculated Property
McVol	234.280	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Tboil	653.58	K	Relay (... Calculated Property
Tc	926.18	K	Relay (... Calculated Property
Tfus	474.92	K	Relay (... Calculated Property
Vc	0.849	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.01; 769.06]	J/mol×K	[755.92; 994.98]
Cp,gas	671.01	J/mol×K	755.92	Joback Calculated Property
Cp,gas	690.35	J/mol×K	795.76	Joback Calculated Property
Cp,gas	708.38	J/mol×K	835.61	Joback Calculated Property
Cp,gas	725.18	J/mol×K	875.45	Joback Calculated Property
Cp,gas	740.83	J/mol×K	915.29	Joback Calculated Property
Cp,gas	755.43	J/mol×K	955.14	Joback Calculated Property
Cp,gas	769.06	J/mol×K	994.98	Joback Calculated Property
η	[0.0001677; 0.0008301]	Pa×s	[461.78; 755.92]
η	0.0008301	Pa×s	461.78	Joback Calculated Property
η	0.0005595	Pa×s	510.80	Joback Calculated Property
η	0.0004041	Pa×s	559.83	Joback Calculated Property
η	0.0003075	Pa×s	608.85	Joback Calculated Property
η	0.0002438	Pa×s	657.87	Joback Calculated Property
η	0.0001996	Pa×s	706.90	Joback Calculated Property
η	0.0001677	Pa×s	755.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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