Chemical Properties of Butanedioic acid, dibutyl ester (CAS 141-03-7)

InChI

InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3

InChI Key

YUXIBTJKHLUKBD-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CCCCOC(=O)CCC(=O)OCCCC

Molecular Weight¹

230.30

CAS

141-03-7

Other Names

• B-9
• Butanedioic acid, 1,4-dibutyl ester
• Butyl butanedioate
• DNBS
• Di-n-butylester kyseliny jantarove
• Dibutyl butanedioate
• ENT 666
• NSC 1502
• Succinic acid di-n-butyl ester
• Tabatrex
• Tabutrex
• di-n-butyl succinate
• dibutyl succinate
• succinic acid, dibutyl ester

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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	0.7600		Relay (1.0) Calculated Property
ΔfG°	-570.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-918.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.57	kJ/mol	Joback Calculated Property
ΔvapH°	73.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.453		Crippen Calculated Property
McVol	194.820	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[1526.00; 1560.00]
Inp	1526.00		NIST
Inp	1560.00		NIST
Inp	1529.00		NIST
Inp	1528.00		NIST
Inp	1560.00		NIST
Inp	1526.00		NIST
Inp	1534.00		NIST
Inp	1529.00		NIST
I	[2000.00; 2000.00]
I	2000.00		NIST
I	2000.00		NIST
S°liquid	548.44	J/mol×K	NIST
Tboil	[408.00; 547.70]	K
Tboil	408.00 ± 6.00	K	NIST
Tboil	547.70 ± 1.00	K	NIST
Tc	701.52	K	Relay (1.0) Calculated Property
Tfus	238.79	K	Relay (1.0) Calculated Property
Vc	0.760	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	436.24	J/mol×K	298.15	NIST
ΔfusH	[29.21; 29.21]	kJ/mol	[244.10; 244.13]
ΔfusH	29.21	kJ/mol	244.10	NIST
ΔfusH	29.21	kJ/mol	244.10	NIST
ΔfusH	29.21	kJ/mol	244.13	NIST
Pvap	[1.32e-03; 0.05]	kPa	[313.30; 358.20]
Pvap	1.32e-03	kPa	313.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.70e-03	kPa	316.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.05e-03	kPa	318.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.48e-03	kPa	320.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	3.25e-03	kPa	323.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	3.83e-03	kPa	325.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	4.89e-03	kPa	328.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	5.77e-03	kPa	330.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	7.43e-03	kPa	333.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	8.77e-03	kPa	335.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	338.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	340.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	343.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	346.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	349.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	352.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	355.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.05	kPa	358.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
ρl	[938.70; 975.30]	kg/m3	[293.15; 333.15]
ρl	975.30	kg/m3	293.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρl	966.20	kg/m3	303.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρl	957.00	kg/m3	313.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρl	947.80	kg/m3	323.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρl	938.70	kg/m3	333.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ΔfusS	119.60	J/mol×K	244.13	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.72; 654.64]	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			4.27980e+01
Coefficient B			1.03424e+00
Coefficient C			-4.39800e-04
Coefficient D			1.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.72	J/mol×K	273.00	Calculated Property
Cp,gas	354.41	J/mol×K	353.78	Calculated Property
Cp,gas	410.61	J/mol×K	434.56	Calculated Property
Cp,gas	461.36	J/mol×K	515.33	Calculated Property
Cp,gas	506.72	J/mol×K	596.11	Calculated Property
Cp,gas	546.75	J/mol×K	676.89	Calculated Property
Cp,gas	581.50	J/mol×K	757.67	Calculated Property
Cp,gas	611.03	J/mol×K	838.44	Calculated Property
Cp,gas	635.39	J/mol×K	919.22	Calculated Property
Cp,gas	654.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038638; 0.0001900]	Pa×s	[309.66; 534.14]	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			-1.27246e+01
Coefficient B			2.21980e+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.			309.66
Temperature range, max.			534.14
η	0.0038638	Pa×s	309.66	Calculated Property
η	0.0022644	Pa×s	334.60	Calculated Property
η	0.0014292	Pa×s	359.54	Calculated Property
η	0.0009575	Pa×s	384.49	Calculated Property
η	0.0006736	Pa×s	409.43	Calculated Property
η	0.0004934	Pa×s	434.37	Calculated Property
η	0.0003738	Pa×s	459.31	Calculated Property
η	0.0002915	Pa×s	484.25	Calculated Property
η	0.0002328	Pa×s	509.19	Calculated Property
η	0.0001900	Pa×s	534.14	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, dibutyl ester.

Mixtures

• Sulfur dioxide + Butanedioic acid, dibutyl ester
• Carbon dioxide + Butanedioic acid, dibutyl ester
• 1-Butanol + Butanedioic acid, dibutyl ester
• Acetonitrile + Butanedioic acid, dibutyl ester
• Tetrahydrofuran + Butanedioic acid, dibutyl ester
• Water + Butanedioic acid, dibutyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubilities and thermodynamic properties of SO2 in five biobased solvents
• Phase Behavior of Binary Mixtures Containing Succinic Acid or Its Esters
• Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
• Solubilities of Carbon Dioxide in Five Bio-based Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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