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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.27	kJ/mol	Joback 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
logPoct/wat	4.804		Crippen Calculated Property
McVol	234.280	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.95; 770.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.86100e+01
Coefficient B			1.55688e+00
Coefficient C			-9.53560e-04
Coefficient D			2.26000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.95	J/mol×K	273.00	Calculated Property
Cp,gas	382.84	J/mol×K	353.78	Calculated Property
Cp,gas	456.42	J/mol×K	434.56	Calculated Property
Cp,gas	521.40	J/mol×K	515.33	Calculated Property
Cp,gas	578.49	J/mol×K	596.11	Calculated Property
Cp,gas	628.41	J/mol×K	676.89	Calculated Property
Cp,gas	671.88	J/mol×K	757.67	Calculated Property
Cp,gas	709.61	J/mol×K	838.44	Calculated Property
Cp,gas	742.32	J/mol×K	919.22	Calculated Property
Cp,gas	770.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008301; 0.0002076]	Pa×s	[461.78; 696.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12045e+01
Coefficient B			1.89814e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			461.78
Temperature range, max.			696.67
η	0.0008301	Pa×s	461.78	Calculated Property
η	0.0006662	Pa×s	487.88	Calculated Property
η	0.0005468	Pa×s	513.98	Calculated Property
η	0.0004574	Pa×s	540.08	Calculated Property
η	0.0003890	Pa×s	566.18	Calculated Property
η	0.0003356	Pa×s	592.28	Calculated Property
η	0.0002931	Pa×s	618.37	Calculated Property
η	0.0002589	Pa×s	644.47	Calculated Property
η	0.0002308	Pa×s	670.57	Calculated Property
η	0.0002076	Pa×s	696.67	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, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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