Chemical Properties of Methyl 11-oxo-9-undecenoate (CAS 53613-55-1)

InChI

InChI=1S/C12H20O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h7,9,11H,2-6,8,10H2,1H3/b9-7+

InChI Key

MGEJSRKZEJDCJG-VQHVLOKHSA-N

Formula

C12H20O3

SMILES

COC(=O)CCCCCCCC=CC=O

Molecular Weight¹

212.29

CAS

53613-55-1

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[267.29; 606.73]	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			1.46070e+01
Coefficient B			1.08352e+00
Coefficient C			-6.11200e-04
Coefficient D			1.19800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.29	J/mol×K	273.00	Calculated Property
Cp,gas	326.74	J/mol×K	353.78	Calculated Property
Cp,gas	379.87	J/mol×K	434.56	Calculated Property
Cp,gas	427.06	J/mol×K	515.33	Calculated Property
Cp,gas	468.69	J/mol×K	596.11	Calculated Property
Cp,gas	505.15	J/mol×K	676.89	Calculated Property
Cp,gas	536.80	J/mol×K	757.67	Calculated Property
Cp,gas	564.02	J/mol×K	838.44	Calculated Property
Cp,gas	587.21	J/mol×K	919.22	Calculated Property
Cp,gas	606.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038915; 0.0002297]	Pa×s	[304.25; 534.43]	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			-1.21191e+01
Coefficient B			1.99895e+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.			304.25
Temperature range, max.			534.43
η	0.0038915	Pa×s	304.25	Calculated Property
η	0.0023381	Pa×s	329.83	Calculated Property
η	0.0015116	Pa×s	355.40	Calculated Property
η	0.0010362	Pa×s	380.98	Calculated Property
η	0.0007449	Pa×s	406.55	Calculated Property
η	0.0005568	Pa×s	432.13	Calculated Property
η	0.0004300	Pa×s	457.70	Calculated Property
η	0.0003413	Pa×s	483.28	Calculated Property
η	0.0002772	Pa×s	508.86	Calculated Property
η	0.0002297	Pa×s	534.43	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 11-oxo-9-undecenoate.

Sources

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

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