Chemical Properties of (Z,Z,E)-1,5,9-Cyclododecatriene, 3-methyl

InChI

InChI=1S/C13H20/c1-13-11-9-7-5-3-2-4-6-8-10-12-13/h2-3,8-11,13H,4-7,12H2,1H3/b3-2+,10-8-,11-9-

InChI Key

OQDOPRBIIHXPJP-VWEHVJGJSA-N

Formula

C13H20

SMILES

CC1C=CCCC=CCCC=CC1

Molecular Weight¹

176.30

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[194.37; 591.86]	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			-8.19200e+01
Coefficient B			1.13532e+00
Coefficient C			-4.47840e-04
Coefficient D			-1.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.37	J/mol×K	273.00	Calculated Property
Cp,gas	263.07	J/mol×K	353.78	Calculated Property
Cp,gas	325.75	J/mol×K	434.56	Calculated Property
Cp,gas	382.34	J/mol×K	515.33	Calculated Property
Cp,gas	432.82	J/mol×K	596.11	Calculated Property
Cp,gas	477.13	J/mol×K	676.89	Calculated Property
Cp,gas	515.23	J/mol×K	757.67	Calculated Property
Cp,gas	547.08	J/mol×K	838.44	Calculated Property
Cp,gas	572.64	J/mol×K	919.22	Calculated Property
Cp,gas	591.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0547834; 0.0000522]	Pa×s	[224.81; 548.02]	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			-1.46998e+01
Coefficient B			2.65173e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.81
Temperature range, max.			548.02
η	0.0547834	Pa×s	224.81	Calculated Property
η	0.0107904	Pa×s	260.72	Calculated Property
η	0.0031498	Pa×s	296.63	Calculated Property
η	0.0011996	Pa×s	332.55	Calculated Property
η	0.0005514	Pa×s	368.46	Calculated Property
η	0.0002910	Pa×s	404.37	Calculated Property
η	0.0001705	Pa×s	440.28	Calculated Property
η	0.0001082	Pa×s	476.20	Calculated Property
η	0.0000732	Pa×s	512.11	Calculated Property
η	0.0000522	Pa×s	548.02	Calculated Property

Similar Compounds

Find more compounds similar to (Z,Z,E)-1,5,9-Cyclododecatriene, 3-methyl.

Sources

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

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