Chemical Properties of Glutaric acid, diisopropyl ester

InChI

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

InChI Key

MSQKMFXJFBXZNQ-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

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

Molecular Weight¹

216.28

Other Names

• bis(1-methylethyl) pentanedioate
• diisopropyl glutarate
• pentanedioic acid, bis(1-methylethyl) 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-935.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[69.15; 72.98]	kJ/mol
ΔfusH°	72.98	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	72.63	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	72.28	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	71.94	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	71.59	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	71.23	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	70.88	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	70.53	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	70.17	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	69.70	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	69.50	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔfusH°	69.15	kJ/mol	Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
ΔvapH°	66.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	2.060		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[1317.00; 1323.00]
Inp	1323.00		NIST
Inp	1321.00		NIST
Inp	1319.00		NIST
Inp	1317.00		NIST
Inp	1322.00		NIST
Inp	1322.00		NIST
Inp	1323.00		NIST
Tboil	485.95	K	Relay (1.0) Calculated Property
Tc	665.28	K	Relay (1.0) Calculated Property
Tfus	267.42	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
Cp,gas	[465.83; 543.12]	J/mol×K	[602.78; 787.66]
Cp,gas	465.83	J/mol×K	602.78	Joback Calculated Property
Cp,gas	480.33	J/mol×K	633.59	Joback Calculated Property
Cp,gas	494.18	J/mol×K	664.41	Joback Calculated Property
Cp,gas	507.38	J/mol×K	695.22	Joback Calculated Property
Cp,gas	519.94	J/mol×K	726.03	Joback Calculated Property
Cp,gas	531.86	J/mol×K	756.85	Joback Calculated Property
Cp,gas	543.12	J/mol×K	787.66	Joback Calculated Property
η	[0.0001484; 0.0029767]	Pa×s	[328.05; 602.78]
η	0.0029767	Pa×s	328.05	Joback Calculated Property
η	0.0013297	Pa×s	373.84	Joback Calculated Property
η	0.0007082	Pa×s	419.63	Joback Calculated Property
η	0.0004269	Pa×s	465.41	Joback Calculated Property
η	0.0002818	Pa×s	511.20	Joback Calculated Property
η	0.0001992	Pa×s	556.99	Joback Calculated Property
η	0.0001484	Pa×s	602.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, diisopropyl ester.

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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