Chemical Properties of 1,2,4,5-1',2',4',5'-[2.2.2.2]Cyclooctatetraenocyclophane (CAS 84954-89-2)

InChI

InChI=1S/C22H22/c1-2-16-6-10-20-13-19-9-5-15(1)17-3-4-18(16)8-12-22(20)14-21(19)11-7-17/h1-4,13-14H,5-12H2/b2-1-,4-3-,15-1-,16-2-,17-3+,17-15-,18-4+,18-16-

InChI Key

PNGMPACZUFTVCX-JBVUJCTDSA-N

Formula

C22H22

SMILES

C1=CC2=C3C=CC4=C1CCc1cc(c(cc1CC4)CC3)CC2

Molecular Weight¹

286.41

CAS

84954-89-2

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.25; 819.74]	J/mol×K	[823.66; 1084.14]
Cp,gas	718.25	J/mol×K	823.66	Joback Calculated Property
Cp,gas	736.94	J/mol×K	867.07	Joback Calculated Property
Cp,gas	754.59	J/mol×K	910.49	Joback Calculated Property
Cp,gas	771.44	J/mol×K	953.90	Joback Calculated Property
Cp,gas	787.75	J/mol×K	997.32	Joback Calculated Property
Cp,gas	803.77	J/mol×K	1040.73	Joback Calculated Property
Cp,gas	819.74	J/mol×K	1084.14	Joback Calculated Property
η	[0.0008428; 0.0022485]	Pa×s	[529.44; 823.66]
η	0.0022485	Pa×s	529.44	Joback Calculated Property
η	0.0017814	Pa×s	578.48	Joback Calculated Property
η	0.0014636	Pa×s	627.51	Joback Calculated Property
η	0.0012373	Pa×s	676.55	Joback Calculated Property
η	0.0010700	Pa×s	725.59	Joback Calculated Property
η	0.0009425	Pa×s	774.62	Joback Calculated Property
η	0.0008428	Pa×s	823.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-1',2',4',5'-[2.2.2.2]Cyclooctatetraenocyclophane.

Sources

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

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