Chemical Properties of Hexadecanedioic acid, dimethyl ester

InChI

InChI=1S/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3

InChI Key

MQIZSSSBYFJIJF-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

COC(=O)CCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

314.47

Other Names

• Dimethyl hexadecanedioate
• 1,14-Tetradecanedicarboxylic acid dimethyl ester
• Dimethyl thapsate
• Hexadecadioic acid, dimethyl ester
• Hexadecandioic acid, dimethyl ester
• Thapsic acid, dimethyl ester

• 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	[420.00; 964.18]	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			3.73440e+01
Coefficient B			1.60424e+00
Coefficient C			-7.66200e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.00	J/mol×K	273.00	Calculated Property
Cp,gas	512.92	J/mol×K	353.78	Calculated Property
Cp,gas	597.07	J/mol×K	434.56	Calculated Property
Cp,gas	672.74	J/mol×K	515.33	Calculated Property
Cp,gas	740.19	J/mol×K	596.11	Calculated Property
Cp,gas	799.72	J/mol×K	676.89	Calculated Property
Cp,gas	851.60	J/mol×K	757.67	Calculated Property
Cp,gas	896.12	J/mol×K	838.44	Calculated Property
Cp,gas	933.55	J/mol×K	919.22	Calculated Property
Cp,gas	964.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019774; 0.0001020]	Pa×s	[377.28; 630.54]	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			-1.36071e+01
Coefficient B			2.78476e+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.			377.28
Temperature range, max.			630.54
η	0.0019774	Pa×s	377.28	Calculated Property
η	0.0011847	Pa×s	405.42	Calculated Property
η	0.0007585	Pa×s	433.56	Calculated Property
η	0.0005128	Pa×s	461.70	Calculated Property
η	0.0003626	Pa×s	489.84	Calculated Property
η	0.0002663	Pa×s	517.98	Calculated Property
η	0.0002019	Pa×s	546.12	Calculated Property
η	0.0001572	Pa×s	574.26	Calculated Property
η	0.0001254	Pa×s	602.40	Calculated Property
η	0.0001020	Pa×s	630.54	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanedioic acid, dimethyl ester.

Sources

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

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