Chemical Properties of Diglycolic acid, di(isobutyl) ester

InChI

InChI=1S/C12H22O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h9-10H,5-8H2,1-4H3

InChI Key

OUAMATOUUTZOLD-UHFFFAOYSA-N

Formula

C12H22O5

SMILES

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

Molecular Weight¹

246.30

• 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	0.7580		Relay (1.0) Calculated Property
ΔfG°	-527.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.55	kJ/mol	Joback Calculated Property
ΔvapH°	67.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-2.09		Relay (1.0) Calculated Property
logPoct/wat	1.401		Crippen Calculated Property
McVol	200.690	ml/mol	McGowan Calculated Property
Pc	1925.36	kPa	Joback Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	554.59	K	Relay (1.0) Calculated Property
Tc	704.32	K	Relay (1.0) Calculated Property
Tfus	260.90	K	Relay (1.0) Calculated Property
Vc	0.764	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.21; 623.21]	J/mol×K	[648.08; 830.65]
Cp,gas	544.21	J/mol×K	648.08	Joback Calculated Property
Cp,gas	559.13	J/mol×K	678.51	Joback Calculated Property
Cp,gas	573.35	J/mol×K	708.94	Joback Calculated Property
Cp,gas	586.88	J/mol×K	739.36	Joback Calculated Property
Cp,gas	599.71	J/mol×K	769.79	Joback Calculated Property
Cp,gas	611.82	J/mol×K	800.22	Joback Calculated Property
Cp,gas	623.21	J/mol×K	830.65	Joback Calculated Property
η	[0.0001023; 0.0018669]	Pa×s	[361.55; 648.08]
η	0.0018669	Pa×s	361.55	Joback Calculated Property
η	0.0008676	Pa×s	409.31	Joback Calculated Property
η	0.0004732	Pa×s	457.06	Joback Calculated Property
η	0.0002895	Pa×s	504.81	Joback Calculated Property
η	0.0001928	Pa×s	552.57	Joback Calculated Property
η	0.0001370	Pa×s	600.32	Joback Calculated Property
η	0.0001023	Pa×s	648.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(isobutyl) ester.

Sources

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

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