Chemical Properties of Decanedioic acid, dibutyl ester (CAS 109-43-3)

InChI

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

InChI Key

PYGXAGIECVVIOZ-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCCC

Molecular Weight¹

314.46

CAS

109-43-3

Other Names

• Bis(n-butyl) sebacate
• Butyl sebacate
• Decanedioic acid, 1,10-dibutyl ester
• Di(n-butyl) sebacate
• Dibutyl decanedioate
• Dibutyl sebacate
• Dibutyl sebacinate
• Dibutylester kyseliny sebakove
• Kodaflex DBS
• Monoplex dbs
• NSC 3893
• PX 404
• Plasthall DBS
• Polycizer DBS
• Reomol DBS
• Sebacic acid, dibutyl ester
• Staflex DBS
• Uniflex DBS
• decandioic acid, dibutyl ester
• n-Butyl sebacate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• n₀ : Refractive Index.
• 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

Property	Value	Unit	Source
ω	0.9811		Relay (1.0) Calculated Property
ΔfG°	-367.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1032.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.95	kJ/mol	Joback Calculated Property
ΔvapH°	91.80 ± 3.20	kJ/mol	NIST
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	[-3.90; -3.72]
log10WS	-3.72		Aq. Solubility Prediction
log10WS	-3.90		Estimated Solubility
logPoct/wat	4.794		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1227.70	kPa	Joback Calculated Property
Inp	[2137.00; 2180.10]
Inp	2169.00		NIST
Inp	2140.00		NIST
Inp	2137.00		NIST
Inp	2180.10		NIST
Inp	2137.00		NIST
Inp	2137.00		NIST
Tboil	595.36	K	Relay (1.0) Calculated Property
Tc	759.81	K	Relay (1.0) Calculated Property
Tfus	262.65	K	Aq. Solubility Prediction
Vc	1.089	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.49; 940.44]	J/mol×K	[763.82; 942.53]
Cp,gas	849.49	J/mol×K	763.82	Joback Calculated Property
Cp,gas	866.90	J/mol×K	793.61	Joback Calculated Property
Cp,gas	883.40	J/mol×K	823.39	Joback Calculated Property
Cp,gas	898.98	J/mol×K	853.18	Joback Calculated Property
Cp,gas	913.68	J/mol×K	882.96	Joback Calculated Property
Cp,gas	927.49	J/mol×K	912.75	Joback Calculated Property
Cp,gas	940.44	J/mol×K	942.53	Joback Calculated Property
Cp,liquid	619.00	J/mol×K	312.00	NIST
η	[0.0000707; 0.0010365]	Pa×s	[436.94; 763.82]
η	0.0010365	Pa×s	436.94	Joback Calculated Property
η	0.0005169	Pa×s	491.42	Joback Calculated Property
η	0.0002962	Pa×s	545.90	Joback Calculated Property
η	0.0001878	Pa×s	600.38	Joback Calculated Property
η	0.0001284	Pa×s	654.86	Joback Calculated Property
η	0.0000931	Pa×s	709.34	Joback Calculated Property
η	0.0000707	Pa×s	763.82	Joback Calculated Property
ΔvapH	[87.60; 106.40]	kJ/mol	[327.00; 500.00]
ΔvapH	88.10	kJ/mol	327.00	NIST
ΔvapH	94.30	kJ/mol	460.50	NIST
ΔvapH	87.60	kJ/mol	466.00	NIST
ΔvapH	106.40	kJ/mol	500.00	NIST
n0	1.44200		298.10	Isobaric vapor liquid equilibria of the binary system: Maleic anhydride + di-n-butylsebacate at 2.67, 5.33 and 8.00 kPa

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[480.55; 688.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47404e+01
Coefficient B			-5.63216e+03
Coefficient C			-9.08550e+01
Temperature range, min.			480.55
Temperature range, max.			688.18
Pvap	1.33	kPa	480.55	Calculated Property
Pvap	2.99	kPa	503.62	Calculated Property
Pvap	6.16	kPa	526.69	Calculated Property
Pvap	11.79	kPa	549.76	Calculated Property
Pvap	21.22	kPa	572.83	Calculated Property
Pvap	36.19	kPa	595.90	Calculated Property
Pvap	58.90	kPa	618.97	Calculated Property
Pvap	92.04	kPa	642.04	Calculated Property
Pvap	138.75	kPa	665.11	Calculated Property
Pvap	202.65	kPa	688.18	Calculated Property

Similar Compounds

Find more compounds similar to Decanedioic acid, dibutyl ester.

Mixtures

• Decanedioic acid, dibutyl ester + Maleic anhydride
• Decanedioic acid, dibutyl ester + Furfural + Water
• Decanedioic acid, dibutyl ester + Formic acid + Water
• Decanedioic acid, dibutyl ester + Water
• Decanedioic acid, dibutyl ester + Pentanoic acid, 4-oxo- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Isobaric vapor liquid equilibria of the binary system: Maleic anhydride + di-n-butylsebacate at 2.67, 5.33 and 8.00 kPa
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.