Chemical Properties of Propanedioic acid, diisobutyl ester (CAS 50780-99-9)

InChI

InChI=1S/C11H20O4/c1-8(2)6-14-10(12)5-11(13)15-7-9(3)4/h8-9H,5-7H2,1-4H3

InChI Key

SWBJZPDGKVYSLT-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

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

Molecular Weight¹

216.27

CAS

50780-99-9

Other Names

• Diisobutyl malonate

• 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).
• 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	0.6670		Relay (1.0) Calculated Property
ΔfH°gas	-941.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.94	kJ/mol	Joback Calculated Property
ΔvapH°	70.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	1.775		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Inp	[1327.00; 1357.00]
Inp	1357.00		NIST
Inp	1327.00		NIST
Inp	1327.00		NIST
Inp	1357.00		NIST
Tboil	514.80	K	Relay (1.0) Calculated Property
Tc	681.42	K	Relay (1.0) Calculated Property
Tfus	210.46	K	Relay (1.0) Calculated Property
Vc	0.695	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	[454.38; 533.98]	J/mol×K	[566.84; 746.81]
Cp,gas	454.38	J/mol×K	566.84	Joback Calculated Property
Cp,gas	469.37	J/mol×K	596.84	Joback Calculated Property
Cp,gas	483.67	J/mol×K	626.83	Joback Calculated Property
Cp,gas	497.28	J/mol×K	656.83	Joback Calculated Property
Cp,gas	510.20	J/mol×K	686.82	Joback Calculated Property
Cp,gas	522.43	J/mol×K	716.82	Joback Calculated Property
Cp,gas	533.98	J/mol×K	746.81	Joback Calculated Property
η	[0.0001268; 0.0095173]	Pa×s	[268.39; 566.84]
η	0.0095173	Pa×s	268.39	Joback Calculated Property
η	0.0026398	Pa×s	318.13	Joback Calculated Property
η	0.0010357	Pa×s	367.87	Joback Calculated Property
η	0.0005078	Pa×s	417.61	Joback Calculated Property
η	0.0002898	Pa×s	467.36	Joback Calculated Property
η	0.0001842	Pa×s	517.10	Joback Calculated Property
η	0.0001268	Pa×s	566.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, diisobutyl ester.

Sources

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

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