Chemical Properties of Propanedioic acid, dipropyl ester (CAS 1117-19-7)

InChI

InChI=1S/C9H16O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-7H2,1-2H3

InChI Key

LWIWFCDNJNZEKB-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

CCCOC(=O)CC(=O)OCCC

Molecular Weight¹

188.22

CAS

1117-19-7

Other Names

• 1,3-propanedioic acid, dipropyl ester
• Di-n-propyl malonate
• dipropyl 1,3-propanedioate
• dipropyl malonate
• malonic acid, dipropyl 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.
• 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	0.6482		Relay (1.0) Calculated Property
ΔfG°	-442.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-874.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.64	kJ/mol	Joback Calculated Property
ΔvapH°	66.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-1.77		Relay (1.0) Calculated Property
logPoct/wat	1.283		Crippen Calculated Property
McVol	152.550	ml/mol	McGowan Calculated Property
Pc	2525.19	kPa	Joback Calculated Property
Inp	[1218.00; 1227.00]
Inp	1220.00		NIST
Inp	1221.00		NIST
Inp	1218.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	Outlier 1227.00		NIST
Inp	1220.00		NIST
I	[1700.00; 1700.00]
I	1700.00		NIST
I	1700.00		NIST
Tboil	502.40 ± 0.70	K	NIST
Tc	659.93	K	Relay (1.0) Calculated Property
Tfus	196.10 ± 1.00	K	NIST
Vc	0.591	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.05; 435.00]	J/mol×K	[557.90; 739.72]
Cp,gas	368.05	J/mol×K	557.90	Joback Calculated Property
Cp,gas	380.43	J/mol×K	588.20	Joback Calculated Property
Cp,gas	392.33	J/mol×K	618.51	Joback Calculated Property
Cp,gas	403.74	J/mol×K	648.81	Joback Calculated Property
Cp,gas	414.66	J/mol×K	679.11	Joback Calculated Property
Cp,gas	425.08	J/mol×K	709.42	Joback Calculated Property
Cp,gas	435.00	J/mol×K	739.72	Joback Calculated Property
η	[0.0002089; 0.0019834]	Pa×s	[335.51; 557.90]
η	0.0019834	Pa×s	335.51	Joback Calculated Property
η	0.0011310	Pa×s	372.57	Joback Calculated Property
η	0.0007139	Pa×s	409.64	Joback Calculated Property
η	0.0004864	Pa×s	446.70	Joback Calculated Property
η	0.0003515	Pa×s	483.77	Joback Calculated Property
η	0.0002660	Pa×s	520.84	Joback Calculated Property
η	0.0002089	Pa×s	557.90	Joback Calculated Property
Pvap	[3.56e-03; 0.13]	kPa	[293.30; 338.50]
Pvap	3.56e-03	kPa	293.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	5.82e-03	kPa	298.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	6.52e-03	kPa	299.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	8.97e-03	kPa	303.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	307.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	308.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	311.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	313.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	315.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	318.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	319.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	323.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.06	kPa	328.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.09	kPa	333.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.11	kPa	336.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.13	kPa	338.50	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, dipropyl 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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