Chemical Properties of Tridecanedioic acid, dimethyl ester (CAS 1472-87-3)

InChI

InChI=1S/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3

InChI Key

WWSBQOYADFGDQE-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

COC(=O)CCCCCCCCCCCC(=O)OC

Molecular Weight¹

272.38

CAS

1472-87-3

Other Names

• 1,13-Dimethyltridecanedioate
• 1,13-Undecanedicarboxylic acid dimethyl ester
• Dimethyl brassylate
• Dimethyl tridecane-1,13-dioate
• Dimethyl tridecanedioate
• Methyl brassylate

• 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).
• 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	[356.36; 809.41]	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			4.00710e+01
Coefficient B			1.31924e+00
Coefficient C			-6.03000e-04
Coefficient D			5.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.36	J/mol×K	273.00	Calculated Property
Cp,gas	433.67	J/mol×K	353.78	Calculated Property
Cp,gas	503.84	J/mol×K	434.56	Calculated Property
Cp,gas	567.05	J/mol×K	515.33	Calculated Property
Cp,gas	623.46	J/mol×K	596.11	Calculated Property
Cp,gas	673.24	J/mol×K	676.89	Calculated Property
Cp,gas	716.55	J/mol×K	757.67	Calculated Property
Cp,gas	753.58	J/mol×K	838.44	Calculated Property
Cp,gas	784.47	J/mol×K	919.22	Calculated Property
Cp,gas	809.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028271; 0.0001438]	Pa×s	[343.47; 581.01]	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			-1.31538e+01
Coefficient B			2.50228e+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.			343.47
Temperature range, max.			581.01
η	0.0028271	Pa×s	343.47	Calculated Property
η	0.0016810	Pa×s	369.86	Calculated Property
η	0.0010712	Pa×s	396.26	Calculated Property
η	0.0007221	Pa×s	422.65	Calculated Property
η	0.0005099	Pa×s	449.05	Calculated Property
η	0.0003742	Pa×s	475.44	Calculated Property
η	0.0002837	Pa×s	501.83	Calculated Property
η	0.0002212	Pa×s	528.23	Calculated Property
η	0.0001765	Pa×s	554.62	Calculated Property
η	0.0001438	Pa×s	581.01	Calculated Property

Similar Compounds

Find more compounds similar to Tridecanedioic acid, dimethyl ester.

Sources

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

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