Chemical Properties of Myristic acid, 3-methylphenyl ester

InChI

InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-21(22)23-20-16-14-15-19(2)18-20/h14-16,18H,3-13,17H2,1-2H3

InChI Key

JDEVARUXESBALF-UHFFFAOYSA-N

Formula

C21H34O2

SMILES

CCCCCCCCCCCCCC(=O)Oc1cccc(C)c1

Molecular Weight¹

318.49

• 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	[412.60; 989.28]	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			-1.03980e+01
Coefficient B			1.80564e+00
Coefficient C			-9.88160e-04
Coefficient D			1.82200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.60	J/mol×K	273.00	Calculated Property
Cp,gas	512.79	J/mol×K	353.78	Calculated Property
Cp,gas	602.60	J/mol×K	434.56	Calculated Property
Cp,gas	682.62	J/mol×K	515.33	Calculated Property
Cp,gas	753.42	J/mol×K	596.11	Calculated Property
Cp,gas	815.57	J/mol×K	676.89	Calculated Property
Cp,gas	869.66	J/mol×K	757.67	Calculated Property
Cp,gas	916.26	J/mol×K	838.44	Calculated Property
Cp,gas	955.94	J/mol×K	919.22	Calculated Property
Cp,gas	989.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012423; 0.0000959]	Pa×s	[407.70; 671.30]	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			-1.32144e+01
Coefficient B			2.65968e+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.			407.70
Temperature range, max.			671.30
η	0.0012423	Pa×s	407.70	Calculated Property
η	0.0008023	Pa×s	436.99	Calculated Property
η	0.0005474	Pa×s	466.28	Calculated Property
η	0.0003908	Pa×s	495.57	Calculated Property
η	0.0002896	Pa×s	524.85	Calculated Property
η	0.0002216	Pa×s	554.14	Calculated Property
η	0.0001741	Pa×s	583.43	Calculated Property
η	0.0001400	Pa×s	612.72	Calculated Property
η	0.0001149	Pa×s	642.01	Calculated Property
η	0.0000959	Pa×s	671.30	Calculated Property

Similar Compounds

Find more compounds similar to Myristic acid, 3-methylphenyl ester.

Sources

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

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