Chemical Properties of Propanedioic acid, dibutyl ester

InChI

InChI=1S/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3

InChI Key

NFKGQHYUYGYHIS-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCCCOC(=O)CC(=O)OCCCC

Molecular Weight¹

216.28

Other Names

• 1,3-propanedioic acid, dibutyl ester
• Malonic acid di-n-butyl ester
• di-n-Butyl malonate
• dibutyl 1,3-propanedioate
• dibutyl malonate
• dibutyl propanedioate
• malonic acid, dibutyl 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).
• 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).
• 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	0.7222		Relay (1.0) Calculated Property
ΔfG°	-579.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.98	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.063		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[1405.00; 1406.00]
Inp	1406.00		NIST
Inp	1406.00		NIST
Inp	1406.00		NIST
Inp	1406.00		NIST
Inp	1405.00		NIST
Inp	1405.00		NIST
Inp	1406.00		NIST
Tboil	522.06	K	Relay (1.0) Calculated Property
Tc	694.60	K	Relay (1.0) Calculated Property
Tfus	178.00 ± 3.00	K	NIST
Vc	0.701	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.38e-03; 0.22]	kPa	[303.20; 369.20]
Pvap	1.38e-03	kPa	303.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.23e-03	kPa	308.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	3.66e-03	kPa	313.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	5.57e-03	kPa	318.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	8.78e-03	kPa	323.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	325.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	328.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	330.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	333.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	335.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	338.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	340.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	343.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.05	kPa	345.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.06	kPa	349.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.08	kPa	353.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.10	kPa	357.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.13	kPa	361.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.17	kPa	365.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.22	kPa	369.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.51; 603.05]	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			4.37070e+01
Coefficient B			9.39240e-01
Coefficient C			-3.85400e-04
Coefficient D			5.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.51	J/mol×K	273.00	Calculated Property
Cp,gas	328.00	J/mol×K	353.78	Calculated Property
Cp,gas	379.53	J/mol×K	434.56	Calculated Property
Cp,gas	426.13	J/mol×K	515.33	Calculated Property
Cp,gas	467.81	J/mol×K	596.11	Calculated Property
Cp,gas	504.59	J/mol×K	676.89	Calculated Property
Cp,gas	536.49	J/mol×K	757.67	Calculated Property
Cp,gas	563.52	J/mol×K	838.44	Calculated Property
Cp,gas	585.70	J/mol×K	919.22	Calculated Property
Cp,gas	603.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.5238016; 0.0002051]	Pa×s	[178.00; 518.93]	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			-1.25884e+01
Coefficient B			2.12564e+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.			178.00
Temperature range, max.			518.93
η	0.5238016	Pa×s	178.00	Calculated Property
η	0.0644366	Pa×s	215.88	Calculated Property
η	0.0148181	Pa×s	253.76	Calculated Property
η	0.0049920	Pa×s	291.64	Calculated Property
η	0.0021597	Pa×s	329.52	Calculated Property
η	0.0011106	Pa×s	367.40	Calculated Property
η	0.0006467	Pa×s	405.28	Calculated Property
η	0.0004131	Pa×s	443.16	Calculated Property
η	0.0002831	Pa×s	481.05	Calculated Property
η	0.0002051	Pa×s	518.93	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, dibutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
• Joback Method
• McGowan Method
• NIST Webbook

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