Chemical Properties of (Z,E)-6,8-heneicosadien-11-one

InChI

InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16,18-20H2,1-2H3/b13-11-,17-15+

InChI Key

OOYMTGLPPRCUKK-WREYUNAZSA-N

Formula

C21H38O

SMILES

CCCCCC=CC=CCC(=O)CCCCCCCCCC

Molecular Weight¹

306.53

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.89; 1030.59]	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			-3.72060e+01
Coefficient B			2.01084e+00
Coefficient C			-1.26750e-03
Coefficient D			3.24460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	423.89	J/mol×K	273.00	Calculated Property
Cp,gas	529.91	J/mol×K	353.78	Calculated Property
Cp,gas	623.89	J/mol×K	434.56	Calculated Property
Cp,gas	706.84	J/mol×K	515.33	Calculated Property
Cp,gas	779.80	J/mol×K	596.11	Calculated Property
Cp,gas	843.79	J/mol×K	676.89	Calculated Property
Cp,gas	899.84	J/mol×K	757.67	Calculated Property
Cp,gas	948.98	J/mol×K	838.44	Calculated Property
Cp,gas	992.22	J/mol×K	919.22	Calculated Property
Cp,gas	1030.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019719; 0.0001054]	Pa×s	[366.20; 644.02]	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			-1.30187e+01
Coefficient B			2.48647e+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.			366.20
Temperature range, max.			644.02
η	0.0019719	Pa×s	366.20	Calculated Property
η	0.0011632	Pa×s	397.07	Calculated Property
η	0.0007404	Pa×s	427.94	Calculated Property
η	0.0005008	Pa×s	458.81	Calculated Property
η	0.0003559	Pa×s	489.68	Calculated Property
η	0.0002634	Pa×s	520.55	Calculated Property
η	0.0002016	Pa×s	551.42	Calculated Property
η	0.0001587	Pa×s	582.28	Calculated Property
η	0.0001280	Pa×s	613.15	Calculated Property
η	0.0001054	Pa×s	644.02	Calculated Property

Similar Compounds

Find more compounds similar to (Z,E)-6,8-heneicosadien-11-one.

Sources

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

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