Chemical Properties of Decanedioic acid, diethyl ester (CAS 110-40-7)

InChI

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

InChI Key

ONKUXPIBXRRIDU-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

CCOC(=O)CCCCCCCCC(=O)OCC

Molecular Weight¹

258.35

CAS

110-40-7

Other Names

• Bisoflex DES
• Decanedioic acid, 1,10-diethyl ester
• Diethyl 1,10-decanedioate
• Ethyl sebacate
• NSC 8911
• diethyl decanedioate
• diethyl sebacate
• sebacic acid, diethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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

Property	Value	Unit	Source
ω	0.8280		Relay (1.0) Calculated Property
ΔfG°	-553.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-960.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.75	kJ/mol	Joback Calculated Property
ΔvapH°	86.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Aq. Solubility Prediction
logPoct/wat	3.233		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[1745.00; 1804.00]
Inp	1804.00		NIST
Inp	1746.00		NIST
Inp	1759.00		NIST
Inp	1764.00		NIST
Inp	1759.00		NIST
Inp	1752.00		NIST
Inp	1746.00		NIST
Inp	1745.00		NIST
Inp	1804.00		NIST
I	2272.00		NIST
Tboil	585.20	K	NIST
Tc	740.00	K	Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
Tfus	276.65	K	Aq. Solubility Prediction
Vc	0.872	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.50; 693.46]	J/mol×K	[636.36; 807.35]
Cp,gas	608.50	J/mol×K	636.36	Joback Calculated Property
Cp,gas	624.53	J/mol×K	664.86	Joback Calculated Property
Cp,gas	639.81	J/mol×K	693.36	Joback Calculated Property
Cp,gas	654.34	J/mol×K	721.85	Joback Calculated Property
Cp,gas	668.12	J/mol×K	750.35	Joback Calculated Property
Cp,gas	681.16	J/mol×K	778.85	Joback Calculated Property
Cp,gas	693.46	J/mol×K	807.35	Joback Calculated Property
η	[0.0000987; 0.0031554]	Pa×s	[332.20; 636.36]
η	0.0031554	Pa×s	332.20	Joback Calculated Property
η	0.0012085	Pa×s	382.89	Joback Calculated Property
η	0.0005793	Pa×s	433.59	Joback Calculated Property
η	0.0003239	Pa×s	484.28	Joback Calculated Property
η	0.0002022	Pa×s	534.97	Joback Calculated Property
η	0.0001369	Pa×s	585.67	Joback Calculated Property
η	0.0000987	Pa×s	636.36	Joback Calculated Property
ΔvapH	74.10	kJ/mol	488.50	NIST
ρl	959.18	kg/m3	298.20	Modeling phase equilibria of ternary systems (water + formic acid + ester or alcohol) through UNIFAC-original, SERLAS, NRTL, NRTL-modified, and three-suffix Margules: Parameter estimation using genetic algorithm

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[445.42; 616.82]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.74579e+01
Coefficient B			-7.11540e+03
Coefficient C			-3.10220e+01
Temperature range, min.			445.42
Temperature range, max.			616.82
Pvap	1.33	kPa	445.42	Calculated Property
Pvap	2.83	kPa	464.46	Calculated Property
Pvap	5.66	kPa	483.51	Calculated Property
Pvap	10.68	kPa	502.55	Calculated Property
Pvap	19.18	kPa	521.60	Calculated Property
Pvap	32.97	kPa	540.64	Calculated Property
Pvap	54.53	kPa	559.69	Calculated Property
Pvap	87.07	kPa	578.73	Calculated Property
Pvap	134.73	kPa	597.78	Calculated Property
Pvap	202.63	kPa	616.82	Calculated Property

Similar Compounds

Find more compounds similar to Decanedioic acid, diethyl ester.

Mixtures

• Decanedioic acid, diethyl ester + Formic acid + Water
• Decanedioic acid, diethyl ester + Ethanedioic acid + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Modeling phase equilibria of ternary systems (water + formic acid + ester or alcohol) through UNIFAC-original, SERLAS, NRTL, NRTL-modified, and three-suffix Margules: Parameter estimation using genetic algorithm
• Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
• Comparison of Extractability of Oxalic Acid from Dilute Aqueous Solutions Using Dioctylamine and Trioctylphosphine Oxide
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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