Chemical Properties of Pentanedioic acid, dibutyl ester (CAS 6624-57-3)

InChI

InChI=1S/C13H24O4/c1-3-5-10-16-12(14)8-7-9-13(15)17-11-6-4-2/h3-11H2,1-2H3

InChI Key

ISXDVFNOXYQPIA-UHFFFAOYSA-N

Formula

C13H24O4

SMILES

CCCCOC(=O)CCCC(=O)OCCCC

Molecular Weight¹

244.33

CAS

6624-57-3

Other Names

• Glutaric acid, dibutyl ester
• dibutyl glutarate
• dibutyl pentanedioate

• 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.
• 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	0.8017		Relay (1.0) Calculated Property
ΔfG°	-562.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.16	kJ/mol	Joback Calculated Property
ΔvapH°	75.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	2.843		Crippen Calculated Property
McVol	208.910	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[1625.00; 1628.00]
Inp	1628.00		NIST
Inp	1627.00		NIST
Inp	1628.00		NIST
Inp	1628.00		NIST
Inp	1625.00		NIST
Inp	1625.00		NIST
Inp	1628.00		NIST
I	[2014.00; 2014.00]
I	2014.00		NIST
I	2014.00		NIST
Tboil	554.43	K	Relay (1.0) Calculated Property
Tc	714.72	K	Relay (1.0) Calculated Property
Tfus	234.01	K	Relay (1.0) Calculated Property
Vc	0.815	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[6.40e-04; 0.04]	kPa	[317.50; 369.50]
Pvap	6.40e-04	kPa	317.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	7.00e-04	kPa	318.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.03e-03	kPa	322.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.14e-03	kPa	323.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.13e-03	kPa	323.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.32e-03	kPa	325.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.45e-03	kPa	326.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.79e-03	kPa	328.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	1.73e-03	kPa	328.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.10e-03	kPa	330.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.29e-03	kPa	331.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.73e-03	kPa	333.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	3.06e-03	kPa	334.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.98e-03	kPa	334.70	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	3.75e-03	kPa	337.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	4.04e-03	kPa	338.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	4.75e-03	kPa	340.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	6.00e-03	kPa	343.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	7.82e-03	kPa	346.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	9.73e-03	kPa	349.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	350.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	352.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	354.70	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	357.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	360.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	363.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	366.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	369.50	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	[313.94; 706.23]	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			4.18890e+01
Coefficient B			1.12924e+00
Coefficient C			-4.94200e-04
Coefficient D			2.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.94	J/mol×K	273.00	Calculated Property
Cp,gas	380.83	J/mol×K	353.78	Calculated Property
Cp,gas	441.69	J/mol×K	434.56	Calculated Property
Cp,gas	496.59	J/mol×K	515.33	Calculated Property
Cp,gas	545.63	J/mol×K	596.11	Calculated Property
Cp,gas	588.91	J/mol×K	676.89	Calculated Property
Cp,gas	626.52	J/mol×K	757.67	Calculated Property
Cp,gas	658.55	J/mol×K	838.44	Calculated Property
Cp,gas	685.09	J/mol×K	919.22	Calculated Property
Cp,gas	706.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035024; 0.0001745]	Pa×s	[320.93; 549.53]	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			-1.28645e+01
Coefficient B			2.31396e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			320.93
Temperature range, max.			549.53
η	0.0035024	Pa×s	320.93	Calculated Property
η	0.0020640	Pa×s	346.33	Calculated Property
η	0.0013075	Pa×s	371.73	Calculated Property
η	0.0008781	Pa×s	397.13	Calculated Property
η	0.0006186	Pa×s	422.53	Calculated Property
η	0.0004535	Pa×s	447.93	Calculated Property
η	0.0003437	Pa×s	473.33	Calculated Property
η	0.0002679	Pa×s	498.73	Calculated Property
η	0.0002140	Pa×s	524.13	Calculated Property
η	0.0001745	Pa×s	549.53	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic 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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