Chemical Properties of Diisopropyl oxalate (CAS 615-81-6)

InChI

InChI=1S/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H3

InChI Key

ITHNIFCFNUZYLQ-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CC(C)OC(=O)C(=O)OC(C)C

Molecular Weight¹

174.19

CAS

615-81-6

Other Names

• ethanedioic acid, bis(1-methylethyl) ester
• isopropyl oxalate
• oxalic acid, diisopropyl ester

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-823.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[57.20; 61.13]	kJ/mol
ΔfusH°	61.13	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	60.86	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	60.60	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	60.23	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	59.96	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	59.69	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	59.41	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	59.23	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	58.96	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	58.77	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	58.50	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	58.31	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	58.30	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	58.05	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	57.94	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	57.83	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	57.57	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	57.20	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔvapH°	60.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	0.890		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Tboil	462.00 ± 3.00	K	NIST
Tc	609.68	K	Relay (1.0) Calculated Property
Tfus	265.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[57.60; 57.80]	kJ/mol	[391.50; 459.50]
ΔvapH	57.60	kJ/mol	391.50	NIST
ΔvapH	57.80	kJ/mol	459.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.24; 449.35]	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			4.30700e+01
Coefficient B			6.66080e-01
Coefficient C			-2.28600e-04
Coefficient D			-3.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.24	J/mol×K	273.00	Calculated Property
Cp,gas	248.72	J/mol×K	353.78	Calculated Property
Cp,gas	286.79	J/mol×K	434.56	Calculated Property
Cp,gas	321.34	J/mol×K	515.33	Calculated Property
Cp,gas	352.29	J/mol×K	596.11	Calculated Property
Cp,gas	379.52	J/mol×K	676.89	Calculated Property
Cp,gas	402.94	J/mol×K	757.67	Calculated Property
Cp,gas	422.45	J/mol×K	838.44	Calculated Property
Cp,gas	437.95	J/mol×K	919.22	Calculated Property
Cp,gas	449.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0136217; 0.0002102]	Pa×s	[234.58; 478.68]	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			-1.24758e+01
Coefficient B			1.91880e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			234.58
Temperature range, max.			478.68
η	0.0136217	Pa×s	234.58	Calculated Property
η	0.0058353	Pa×s	261.70	Calculated Property
η	0.0029311	Pa×s	288.83	Calculated Property
η	0.0016571	Pa×s	315.95	Calculated Property
η	0.0010253	Pa×s	343.07	Calculated Property
η	0.0006806	Pa×s	370.19	Calculated Property
η	0.0004778	Pa×s	397.32	Calculated Property
η	0.0003509	Pa×s	424.44	Calculated Property
η	0.0002675	Pa×s	451.56	Calculated Property
η	0.0002102	Pa×s	478.68	Calculated Property

Similar Compounds

Find more compounds similar to Diisopropyl oxalate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
• Joback Method
• McGowan Method
• NIST Webbook

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