Chemical Properties of Propanedioic acid, dibutyl ester (CAS 1190-39-2)

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

216.27

CAS

1190-39-2

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°	-426.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.82	kJ/mol	Joback Calculated Property
ΔvapH°	75.84	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	2100.34	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	691.80	K	Relay (1.0) Calculated Property
Tfus	178.00 ± 3.00	K	NIST
Vc	0.699	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.03; 539.69]	J/mol×K	[603.66; 782.25]
Cp,gas	465.03	J/mol×K	603.66	Joback Calculated Property
Cp,gas	478.94	J/mol×K	633.43	Joback Calculated Property
Cp,gas	492.26	J/mol×K	663.19	Joback Calculated Property
Cp,gas	505.00	J/mol×K	692.96	Joback Calculated Property
Cp,gas	517.15	J/mol×K	722.72	Joback Calculated Property
Cp,gas	528.71	J/mol×K	752.49	Joback Calculated Property
Cp,gas	539.69	J/mol×K	782.25	Joback Calculated Property
η	[0.0001703; 0.0018153]	Pa×s	[358.05; 603.66]
η	0.0018153	Pa×s	358.05	Joback Calculated Property
η	0.0009995	Pa×s	398.99	Joback Calculated Property
η	0.0006149	Pa×s	439.92	Joback Calculated Property
η	0.0004109	Pa×s	480.86	Joback Calculated Property
η	0.0002926	Pa×s	521.79	Joback Calculated Property
η	0.0002188	Pa×s	562.73	Joback Calculated Property
η	0.0001703	Pa×s	603.66	Joback Calculated Property
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

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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