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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7600		Relay (1.0) Calculated Property
Δ_fG°	-417.68	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-918.17	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	32.41	kJ/mol	Joback Calculated Property
Δ_vapH°	72.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.86		Relay (1.0) Calculated Property
logP_oct/wat	2.453		Crippen Calculated Property
McVol	194.820	ml/mol	McGowan Calculated Property
P_c	1927.05	kPa	Joback Calculated Property
I_np	[1526.00; 1560.00]
I_np	1560.00		NIST
I_np	1529.00		NIST
I_np	1528.00		NIST
I_np	1528.00		NIST
I_np	1528.00		NIST
I_np	1560.00		NIST
I_np	1526.00		NIST
I_np	1534.00		NIST
I	2000.00		NIST
S°_liquid	548.44	J/mol×K	NIST
T_boil	[408.00; 547.70]	K
T_boil	408.00 ± 6.00	K	NIST
T_boil	547.70 ± 1.00	K	NIST
T_c	698.79	K	Relay (1.0) Calculated Property
T_fus	241.17	K	Relay (1.0) Calculated Property
V_c	0.758	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[515.96; 593.78]	J/mol×K	[626.54; 803.91]

C_p,gas	515.96	J/mol×K	626.54	Joback Calculated Property
C_p,gas	530.51	J/mol×K	656.10	Joback Calculated Property
C_p,gas	544.42	J/mol×K	685.66	Joback Calculated Property
C_p,gas	557.71	J/mol×K	715.23	Joback Calculated Property
C_p,gas	570.37	J/mol×K	744.79	Joback Calculated Property
C_p,gas	582.39	J/mol×K	774.35	Joback Calculated Property
C_p,gas	593.78	J/mol×K	803.91	Joback Calculated Property
C_p,liquid	436.24	J/mol×K	298.15	NIST
η	[0.0001522; 0.0017118]	Pa×s	[369.32; 626.54]

η	0.0017118	Pa×s	369.32	Joback Calculated Property
η	0.0009273	Pa×s	412.19	Joback Calculated Property
η	0.0005638	Pa×s	455.06	Joback Calculated Property
η	0.0003735	Pa×s	497.93	Joback Calculated Property
η	0.0002641	Pa×s	540.80	Joback Calculated Property
η	0.0001965	Pa×s	583.67	Joback Calculated Property
η	0.0001522	Pa×s	626.54	Joback Calculated Property
Δ_fusH	[29.21; 29.21]	kJ/mol	[244.10; 244.13]
Δ_fusH	29.21	kJ/mol	244.10	NIST
Δ_fusH	29.21	kJ/mol	244.10	NIST
Δ_fusH	29.21	kJ/mol	244.13	NIST
P_vap	[1.32e-03; 0.05]	kPa	[313.30; 358.20]

P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	0.01	kPa	338.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.01	kPa	340.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	343.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	346.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	349.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.03	kPa	352.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.04	kPa	355.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
P_vap	0.05	kPa	358.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
ρ_l	[938.70; 975.30]	kg/m³	[293.15; 333.15]

ρ_l	975.30	kg/m³	293.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρ_l	966.20	kg/m³	303.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρ_l	957.00	kg/m³	313.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρ_l	947.80	kg/m³	323.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
ρ_l	938.70	kg/m³	333.15	Solubilities and thermodynamic properties of SO2 in five biobased solvents
Δ_fusS	119.60	J/mol×K	244.13	NIST

Similar Compounds

Succinic acid, butyl 2,2,2-trichloroethyl ester.

Succinic acid, butyl 2,2-dichloroethyl ester.

Succinic acid, butyl 3-methylbutyl ester.

Find more compounds similar to Butanedioic acid, dibutyl ester.

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

Physical Properties

Temperature Dependent Properties

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