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_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
ΔfH°gas	-874.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.80	kJ/mol	Joback Calculated Property
ΔvapH°	67.61	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	2329.27	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	662.88	K	Relay (1.0) Calculated Property
Tfus	196.10 ± 1.00	K	NIST
Vc	0.594	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.08; 499.87]	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			4.55250e+01
Coefficient B			7.49240e-01
Coefficient C			-2.76600e-04
Coefficient D			-1.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.08	J/mol×K	273.00	Calculated Property
Cp,gas	275.16	J/mol×K	353.78	Calculated Property
Cp,gas	317.38	J/mol×K	434.56	Calculated Property
Cp,gas	355.67	J/mol×K	515.33	Calculated Property
Cp,gas	389.99	J/mol×K	596.11	Calculated Property
Cp,gas	420.27	J/mol×K	676.89	Calculated Property
Cp,gas	446.46	J/mol×K	757.67	Calculated Property
Cp,gas	468.49	J/mol×K	838.44	Calculated Property
Cp,gas	486.31	J/mol×K	919.22	Calculated Property
Cp,gas	499.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0862826; 0.0002325]	Pa×s	[196.10; 488.91]	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			-1.23294e+01
Coefficient B			1.93732e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			196.10
Temperature range, max.			488.91
η	0.0862826	Pa×s	196.10	Calculated Property
η	0.0211539	Pa×s	228.63	Calculated Property
η	0.0073616	Pa×s	261.17	Calculated Property
η	0.0032368	Pa×s	293.70	Calculated Property
η	0.0016766	Pa×s	326.24	Calculated Property
η	0.0009785	Pa×s	358.77	Calculated Property
η	0.0006246	Pa×s	391.31	Calculated Property
η	0.0004271	Pa×s	423.84	Calculated Property
η	0.0003083	Pa×s	456.37	Calculated Property
η	0.0002325	Pa×s	488.91	Calculated Property

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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