Chemical Properties of (1E,3E,7E,11E)-4-Isopropyl-1,7,11-trimethylcyclotetradeca-1,3,7,11-tetraene (CAS 64363-64-0)

InChI

InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+,20-14+

InChI Key

UJUWZMUCEGGBOH-YBJPMODXSA-N

Formula

C20H32

SMILES

CC1=CC=C(C(C)C)CCC(C)=CCCC(C)=CCC1

Molecular Weight¹

272.47

CAS

64363-64-0

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy, 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	[334.23; 906.97]	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			-4.11700e+01
Coefficient B			1.51960e+00
Coefficient C			-5.13560e-04
Coefficient D			-5.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.23	J/mol×K	273.00	Calculated Property
Cp,gas	429.59	J/mol×K	353.78	Calculated Property
Cp,gas	517.45	J/mol×K	434.56	Calculated Property
Cp,gas	597.62	J/mol×K	515.33	Calculated Property
Cp,gas	669.92	J/mol×K	596.11	Calculated Property
Cp,gas	734.17	J/mol×K	676.89	Calculated Property
Cp,gas	790.18	J/mol×K	757.67	Calculated Property
Cp,gas	837.78	J/mol×K	838.44	Calculated Property
Cp,gas	876.77	J/mol×K	919.22	Calculated Property
Cp,gas	906.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027490; 0.0000106]	Pa×s	[336.74; 677.06]	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			-1.69504e+01
Coefficient B			3.72230e+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.			336.74
Temperature range, max.			677.06
η	0.0027490	Pa×s	336.74	Calculated Property
η	0.0009006	Pa×s	374.55	Calculated Property
η	0.0003620	Pa×s	412.37	Calculated Property
η	0.0001696	Pa×s	450.18	Calculated Property
η	0.0000894	Pa×s	488.00	Calculated Property
η	0.0000516	Pa×s	525.81	Calculated Property
η	0.0000321	Pa×s	563.62	Calculated Property
η	0.0000212	Pa×s	601.44	Calculated Property
η	0.0000147	Pa×s	639.25	Calculated Property
η	0.0000106	Pa×s	677.06	Calculated Property

Similar Compounds

Find more compounds similar to (1E,3E,7E,11E)-4-Isopropyl-1,7,11-trimethylcyclotetradeca-1,3,7,11-tetraene.

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

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