Chemical Properties of Diisopropyl glutarate (CAS 71340-46-0)

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

216.27

CAS

71340-46-0

Other Names

• bis(1-methylethyl) pentanedioate
• glutaric acid, diisopropyl ester
• pentanedioic acid, bis(1-methylethyl) ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.6622		Relay (1.0) Calculated Property
ΔfG°	-430.98	kJ/mol	Joback Calculated Property
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
Vc	0.707	m3/kmol	Relay (1.0) Calculated Property

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 Diisopropyl glutarate.

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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