Chemical Properties of Di-n-propyl oxalate (CAS 615-98-5)

InChI

InChI=1S/C8H14O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-6H2,1-2H3

InChI Key

HZHMMLIMOUNKCK-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CCCOC(=O)C(=O)OCCC

Molecular Weight¹

174.20

CAS

615-98-5

Other Names

• dipropyl ethanedioate
• dipropyl oxalate
• ethanedioic acid, dipropyl ester
• oxalic 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.6688		Relay (1.0) Calculated Property
ΔfH°gas	-777.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.21	kJ/mol	Joback Calculated Property
ΔvapH°	62.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-2.06		Relay (1.0) Calculated Property
logPoct/wat	0.893		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[1084.00; 1131.00]
Inp	1130.00		NIST
Inp	1131.00		NIST
Inp	1126.00		NIST
Inp	1128.00		NIST
Inp	1084.00		NIST
Inp	1084.00		NIST
Inp	1130.00		NIST
Tboil	487.10 ± 0.50	K	NIST
Tc	634.39	K	Relay (1.0) Calculated Property
Tfus	228.92	K	Relay (1.0) Calculated Property
Vc	0.547	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
Cp,gas	[313.85; 378.20]	J/mol×K	[499.08; 677.18]
Cp,gas	313.85	J/mol×K	499.08	Joback Calculated Property
Cp,gas	325.78	J/mol×K	528.76	Joback Calculated Property
Cp,gas	337.24	J/mol×K	558.45	Joback Calculated Property
Cp,gas	348.21	J/mol×K	588.13	Joback Calculated Property
Cp,gas	358.70	J/mol×K	617.81	Joback Calculated Property
Cp,gas	368.70	J/mol×K	647.49	Joback Calculated Property
Cp,gas	378.20	J/mol×K	677.18	Joback Calculated Property
η	[0.0002005; 0.0052925]	Pa×s	[264.58; 499.08]
η	0.0052925	Pa×s	264.58	Joback Calculated Property
η	0.0021591	Pa×s	303.66	Joback Calculated Property
η	0.0010806	Pa×s	342.75	Joback Calculated Property
η	0.0006232	Pa×s	381.83	Joback Calculated Property
η	0.0003981	Pa×s	420.91	Joback Calculated Property
η	0.0002744	Pa×s	460.00	Joback Calculated Property
η	0.0002005	Pa×s	499.08	Joback Calculated Property
ΔvapH	57.80	kJ/mol	406.50	NIST
Pvap	[9.43e-03; 0.18]	kPa	[293.60; 333.50]
Pvap	9.43e-03	kPa	293.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	298.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	301.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	306.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	308.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	311.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	313.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.05	kPa	316.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.06	kPa	318.60	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.07	kPa	321.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.09	kPa	323.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.11	kPa	326.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.12	kPa	328.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.14	kPa	330.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.18	kPa	333.50	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
Pvap	[1.33; 202.66]	kPa	[367.33; 511.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64154e+01
Coefficient B			-5.13237e+03
Coefficient C			-4.90960e+01
Temperature range, min.			367.33
Temperature range, max.			511.31
Pvap	1.33	kPa	367.33	Calculated Property
Pvap	2.89	kPa	383.33	Calculated Property
Pvap	5.82	kPa	399.33	Calculated Property
Pvap	11.04	kPa	415.32	Calculated Property
Pvap	19.84	kPa	431.32	Calculated Property
Pvap	34.03	kPa	447.32	Calculated Property
Pvap	55.98	kPa	463.32	Calculated Property
Pvap	88.74	kPa	479.31	Calculated Property
Pvap	136.11	kPa	495.31	Calculated Property
Pvap	202.66	kPa	511.31	Calculated Property

Similar Compounds

Find more compounds similar to Di-n-propyl oxalate.

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
• The Yaws Handbook of Vapor Pressure

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