Chemical Properties of 2-Methoxyethyl (9z)-12-(acetyloxy)-9-octadecenoate

InChI

InChI=1S/C23H42O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h11,14,22H,4-10,12-13,15-20H2,1-3H3/b14-11-

InChI Key

BJJRVZBBFAXWGR-KAMYIIQDSA-N

Formula

C23H42O5

SMILES

CCCCCCC(C/C=C\CCCCCCCC(=O)OCCOC)OC(C)=O

Molecular Weight¹

398.58

Other Names

• 2-methoxyethyl (R)-12-(acetoxy)oleate

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[527.16; 1210.59]	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			4.24350e+01
Coefficient B			2.04196e+00
Coefficient C			-1.01420e-03
Coefficient D			1.40400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	527.16	J/mol×K	273.00	Calculated Property
Cp,gas	644.12	J/mol×K	353.78	Calculated Property
Cp,gas	749.78	J/mol×K	434.56	Calculated Property
Cp,gas	844.60	J/mol×K	515.33	Calculated Property
Cp,gas	929.02	J/mol×K	596.11	Calculated Property
Cp,gas	1003.47	J/mol×K	676.89	Calculated Property
Cp,gas	1068.42	J/mol×K	757.67	Calculated Property
Cp,gas	1124.29	J/mol×K	838.44	Calculated Property
Cp,gas	1171.53	J/mol×K	919.22	Calculated Property
Cp,gas	1210.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007556; 0.0000300]	Pa×s	[435.78; 744.23]	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			-1.49711e+01
Coefficient B			3.39171e+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.			435.78
Temperature range, max.			744.23
η	0.0007556	Pa×s	435.78	Calculated Property
η	0.0004284	Pa×s	470.05	Calculated Property
η	0.0002623	Pa×s	504.33	Calculated Property
η	0.0001710	Pa×s	538.60	Calculated Property
η	0.0001173	Pa×s	572.87	Calculated Property
η	0.0000840	Pa×s	607.14	Calculated Property
η	0.0000623	Pa×s	641.42	Calculated Property
η	0.0000477	Pa×s	675.69	Calculated Property
η	0.0000374	Pa×s	709.96	Calculated Property
η	0.0000300	Pa×s	744.23	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxyethyl (9z)-12-(acetyloxy)-9-octadecenoate.

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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