Chemical Properties of m-Methoxybenzoic acid, octadecyl ester (CAS 56954-76-8)

InChI

InChI=1S/C26H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-26(27)24-20-19-21-25(23-24)28-2/h19-21,23H,3-18,22H2,1-2H3

InChI Key

UBVGQHYZUPQEPU-UHFFFAOYSA-N

Formula

C26H44O3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1cccc(OC)c1

Molecular Weight¹

404.63

CAS

56954-76-8

• 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).
• 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).
• 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 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	[534.08; 1265.74]	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			1.05570e+01
Coefficient B			2.21744e+00
Coefficient C			-1.14916e-03
Coefficient D			1.86900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	534.08	J/mol×K	273.00	Calculated Property
Cp,gas	659.49	J/mol×K	353.78	Calculated Property
Cp,gas	772.49	J/mol×K	434.56	Calculated Property
Cp,gas	873.68	J/mol×K	515.33	Calculated Property
Cp,gas	963.64	J/mol×K	596.11	Calculated Property
Cp,gas	1042.96	J/mol×K	676.89	Calculated Property
Cp,gas	1112.24	J/mol×K	757.67	Calculated Property
Cp,gas	1172.07	J/mol×K	838.44	Calculated Property
Cp,gas	1223.04	J/mol×K	919.22	Calculated Property
Cp,gas	1265.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004679; 0.0000383]	Pa×s	[486.28; 777.15]	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			-1.43560e+01
Coefficient B			3.25257e+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.			486.28
Temperature range, max.			777.15
η	0.0004679	Pa×s	486.28	Calculated Property
η	0.0003084	Pa×s	518.60	Calculated Property
η	0.0002135	Pa×s	550.92	Calculated Property
η	0.0001539	Pa×s	583.24	Calculated Property
η	0.0001148	Pa×s	615.56	Calculated Property
η	0.0000882	Pa×s	647.87	Calculated Property
η	0.0000695	Pa×s	680.19	Calculated Property
η	0.0000559	Pa×s	712.51	Calculated Property
η	0.0000459	Pa×s	744.83	Calculated Property
η	0.0000383	Pa×s	777.15	Calculated Property

Similar Compounds

Find more compounds similar to m-Methoxybenzoic acid, octadecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.