Chemical Properties of 2,5,3',6'-Tetramethyl-[2.2]paracyclophane (CAS 35233-72-8)

InChI

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

InChI Key

JTMLLDPOLFRPGJ-UHFFFAOYSA-N

Formula

C20H24

SMILES

Cc1cc2c(C)cc1CCc1cc(C)c(cc1C)CC2

Molecular Weight¹

264.40

CAS

35233-72-8

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 2,5,3',6'-Tetramethyl-[2.2]paracyclophane.

Sources

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

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