Chemical Properties of Dodecanedioic acid, dimethyl ester (CAS 1731-79-9)

InChI

InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3

InChI Key

IZMOTZDBVPMOFE-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

COC(=O)CCCCCCCCCCC(=O)OC

Molecular Weight¹

258.35

CAS

1731-79-9

Other Names

• 1,12-Dimethyl dodecanedioate
• Dimethyl 1,10-decanedicarboxylate
• Dimethyl 1,12-dodecanedioate
• Dimethyl dodecanedioate
• dimethyl 1,12-dodecanoate
• dimethyl dodecanoate
• dodecanedioic 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.8397		Relay (1.0) Calculated Property
ΔfH°gas	-931.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.75	kJ/mol	Joback Calculated Property
ΔvapH°	95.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
log10WS	-3.90		Relay (1.0) Calculated Property
logPoct/wat	3.233		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[309.45; 1853.70]
Inp	309.45		NIST
Inp	1851.00		NIST
Inp	1853.70		NIST
Inp	309.45		NIST
Inp	1851.00		NIST
Inp	1853.70		NIST
Tboil	561.55	K	Relay (1.0) Calculated Property
Tc	739.62	K	Relay (1.0) Calculated Property
Tfus	304.30	K	Relay (1.0) Calculated Property
Vc	0.867	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ρl	[927.00; 959.40]	kg/m3	[313.15; 352.15]
ρl	959.40	kg/m3	313.15	Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
ρl	951.00	kg/m3	323.15	Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
ρl	943.10	kg/m3	333.15	Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
ρl	934.40	kg/m3	343.15	Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
ρl	927.00	kg/m3	352.15	Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[441.20; 460.50]	K	[1.00; 1.90]
Tboilr	441.20	K	1.00	NIST
Tboilr	460.50 ± 0.50	K	1.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.15; 757.82]	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			4.09800e+01
Coefficient B			1.22424e+00
Coefficient C			-5.48600e-04
Coefficient D			4.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.15	J/mol×K	273.00	Calculated Property
Cp,gas	407.25	J/mol×K	353.78	Calculated Property
Cp,gas	472.76	J/mol×K	434.56	Calculated Property
Cp,gas	531.82	J/mol×K	515.33	Calculated Property
Cp,gas	584.55	J/mol×K	596.11	Calculated Property
Cp,gas	631.08	J/mol×K	676.89	Calculated Property
Cp,gas	671.54	J/mol×K	757.67	Calculated Property
Cp,gas	706.06	J/mol×K	838.44	Calculated Property
Cp,gas	734.78	J/mol×K	919.22	Calculated Property
Cp,gas	757.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031554; 0.0001590]	Pa×s	[332.20; 565.14]	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			-1.30077e+01
Coefficient B			2.40812e+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.			332.20
Temperature range, max.			565.14
η	0.0031554	Pa×s	332.20	Calculated Property
η	0.0018685	Pa×s	358.08	Calculated Property
η	0.0011875	Pa×s	383.97	Calculated Property
η	0.0007991	Pa×s	409.85	Calculated Property
η	0.0005637	Pa×s	435.73	Calculated Property
η	0.0004135	Pa×s	461.61	Calculated Property
η	0.0003134	Pa×s	487.50	Calculated Property
η	0.0002443	Pa×s	513.38	Calculated Property
η	0.0001951	Pa×s	539.26	Calculated Property
η	0.0001590	Pa×s	565.14	Calculated Property

Similar Compounds

Find more compounds similar to Dodecanedioic acid, dimethyl ester.

Mixtures

• Dodecane + Dodecanedioic acid, dimethyl ester
• Dodecanedioic acid, dimethyl ester + 10-Undecenoic acid, methyl ester
• Carbon monoxide + Dodecanedioic acid, dimethyl ester
• Carbon monoxide + Methyl Alcohol + Dodecanedioic acid, dimethyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
• Joback Method
• McGowan Method
• NIST Webbook

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