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

InChI

InChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2,4,7-10,12H,3,5-6,11H2,1H3/b4-2-,9-7-,10-8+/t12-/m0/s1

InChI Key

NONATMBHGBQNTN-DZNNNWEBSA-N

Formula

C12H18

SMILES

CC1C=CCC=CCCC=CC1

Molecular Weight¹

162.27

• 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	[178.04; 538.49]	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			-7.58900e+01
Coefficient B			1.04992e+00
Coefficient C			-4.39840e-04
Coefficient D			4.30000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.04	J/mol×K	273.00	Calculated Property
Cp,gas	240.69	J/mol×K	353.78	Calculated Property
Cp,gas	297.65	J/mol×K	434.56	Calculated Property
Cp,gas	348.95	J/mol×K	515.33	Calculated Property
Cp,gas	394.59	J/mol×K	596.11	Calculated Property
Cp,gas	434.60	J/mol×K	676.89	Calculated Property
Cp,gas	468.98	J/mol×K	757.67	Calculated Property
Cp,gas	497.74	J/mol×K	838.44	Calculated Property
Cp,gas	520.91	J/mol×K	919.22	Calculated Property
Cp,gas	538.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0413815; 0.0000728]	Pa×s	[217.06; 525.98]	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			-1.39847e+01
Coefficient B			2.34420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			217.06
Temperature range, max.			525.98
η	0.0413815	Pa×s	217.06	Calculated Property
η	0.0094709	Pa×s	251.38	Calculated Property
η	0.0030892	Pa×s	285.71	Calculated Property
η	0.0012814	Pa×s	320.03	Calculated Property
η	0.0006303	Pa×s	354.36	Calculated Property
η	0.0003514	Pa×s	388.68	Calculated Property
η	0.0002154	Pa×s	423.00	Calculated Property
η	0.0001421	Pa×s	457.33	Calculated Property
η	0.0000994	Pa×s	491.65	Calculated Property
η	0.0000728	Pa×s	525.98	Calculated Property

Similar Compounds

Find more compounds similar to (E,Z,Z)-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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