Chemical Properties of Diisobutyl oxalate (CAS 2050-61-5)

InChI

InChI=1S/C10H18O4/c1-7(2)5-13-9(11)10(12)14-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

GJRRTUSXQPXVES-UHFFFAOYSA-N

Formula

C10H18O4

SMILES

CC(C)COC(=O)C(=O)OCC(C)C

Molecular Weight¹

202.25

CAS

2050-61-5

Other Names

• Oxalic acid, diisobutyl 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).
• 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	0.6862		Relay (1.0) Calculated Property
ΔfH°gas	-844.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.35	kJ/mol	Joback Calculated Property
ΔvapH°	66.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	1.385		Crippen Calculated Property
McVol	166.640	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
Inp	[1236.00; 1236.00]
Inp	1236.00		NIST
Inp	1236.00		NIST
Tboil	505.85	K	Relay (1.0) Calculated Property
Tc	652.45	K	Relay (1.0) Calculated Property
Tfus	246.91	K	Relay (1.0) Calculated Property
Vc	0.647	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	[405.90; 481.99]	J/mol×K	[543.96; 725.70]
Cp,gas	405.90	J/mol×K	543.96	Joback Calculated Property
Cp,gas	420.19	J/mol×K	574.25	Joback Calculated Property
Cp,gas	433.84	J/mol×K	604.54	Joback Calculated Property
Cp,gas	446.85	J/mol×K	634.83	Joback Calculated Property
Cp,gas	459.21	J/mol×K	665.12	Joback Calculated Property
Cp,gas	470.92	J/mol×K	695.41	Joback Calculated Property
Cp,gas	481.99	J/mol×K	725.70	Joback Calculated Property
η	[0.0001433; 0.0107870]	Pa×s	[257.12; 543.96]
η	0.0107870	Pa×s	257.12	Joback Calculated Property
η	0.0029847	Pa×s	304.93	Joback Calculated Property
η	0.0011699	Pa×s	352.73	Joback Calculated Property
η	0.0005735	Pa×s	400.54	Joback Calculated Property
η	0.0003273	Pa×s	448.35	Joback Calculated Property
η	0.0002081	Pa×s	496.15	Joback Calculated Property
η	0.0001433	Pa×s	543.96	Joback Calculated Property
ΔvapH	55.50	kJ/mol	419.50	NIST

Similar Compounds

Find more compounds similar to Diisobutyl oxalate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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