Chemical Properties of [2.2.2.2.2](1,2,3,4,5)Cyclophane

InChI

InChI=1S/C22H22/c1-2-14-12-16-4-3-15-11-13(1)17-5-6-18(14)22-10-9-21(17)19(15)7-8-20(16)22/h11-12H,1-10H2

InChI Key

UVAGYNNUHRJWFD-UHFFFAOYSA-N

Formula

C22H22

SMILES

c1c2c3c4c5c1CCc1cc(c(c(c1CC5)CC4)CC3)CC2

Molecular Weight¹

286.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[285.03; 781.71]	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			-1.85010e+02
Coefficient B			2.18880e+00
Coefficient C			-1.89428e-03
Coefficient D			6.72200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.03	J/mol×K	273.00	Calculated Property
Cp,gas	382.02	J/mol×K	353.78	Calculated Property
Cp,gas	463.59	J/mol×K	434.56	Calculated Property
Cp,gas	531.89	J/mol×K	515.33	Calculated Property
Cp,gas	589.02	J/mol×K	596.11	Calculated Property
Cp,gas	637.12	J/mol×K	676.89	Calculated Property
Cp,gas	678.31	J/mol×K	757.67	Calculated Property
Cp,gas	714.73	J/mol×K	838.44	Calculated Property
Cp,gas	748.48	J/mol×K	919.22	Calculated Property
Cp,gas	781.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075303; 0.0061013]	Pa×s	[586.46; 760.44]	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			-5.80855e+00
Coefficient B			5.39380e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			586.46
Temperature range, max.			760.44
η	0.0075303	Pa×s	586.46	Calculated Property
η	0.0073125	Pa×s	605.79	Calculated Property
η	0.0071139	Pa×s	625.12	Calculated Property
η	0.0069321	Pa×s	644.45	Calculated Property
η	0.0067652	Pa×s	663.78	Calculated Property
η	0.0066114	Pa×s	683.12	Calculated Property
η	0.0064693	Pa×s	702.45	Calculated Property
η	0.0063376	Pa×s	721.78	Calculated Property
η	0.0062153	Pa×s	741.11	Calculated Property
η	0.0061013	Pa×s	760.44	Calculated Property

Similar Compounds

Find more compounds similar to [2.2.2.2.2](1,2,3,4,5)Cyclophane.

Sources

• Cheméo Relay (1.0)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.