Chemical Properties of Diglycolic acid, isobutyl neopentyl ester

InChI

InChI=1S/C13H24O5/c1-10(2)6-17-11(14)7-16-8-12(15)18-9-13(3,4)5/h10H,6-9H2,1-5H3

InChI Key

JWUXQOVRODNNGU-UHFFFAOYSA-N

Formula

C13H24O5

SMILES

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

Molecular Weight¹

260.33

• 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	0.7584		Relay (1.0) Calculated Property
ΔfH°gas	-1101.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.41	kJ/mol	Joback Calculated Property
ΔvapH°	69.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
log10WS	-2.52		Relay (1.0) Calculated Property
logPoct/wat	1.791		Crippen Calculated Property
McVol	214.780	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	560.18	K	Relay (1.0) Calculated Property
Tc	717.62	K	Relay (1.0) Calculated Property
Tfus	278.71	K	Relay (1.0) Calculated Property
Vc	0.820	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	[587.00; 671.14]	J/mol×K	[632.23; 814.01]
Cp,gas	587.00	J/mol×K	632.23	Joback Calculated Property
Cp,gas	603.14	J/mol×K	662.53	Joback Calculated Property
Cp,gas	618.42	J/mol×K	692.82	Joback Calculated Property
Cp,gas	632.86	J/mol×K	723.12	Joback Calculated Property
Cp,gas	646.45	J/mol×K	753.42	Joback Calculated Property
Cp,gas	659.21	J/mol×K	783.71	Joback Calculated Property
Cp,gas	671.14	J/mol×K	814.01	Joback Calculated Property
η	[0.0000704; 0.0035387]	Pa×s	[330.58; 632.23]
η	0.0035387	Pa×s	330.58	Joback Calculated Property
η	0.0011970	Pa×s	380.86	Joback Calculated Property
η	0.0005214	Pa×s	431.13	Joback Calculated Property
η	0.0002701	Pa×s	481.40	Joback Calculated Property
η	0.0001585	Pa×s	531.68	Joback Calculated Property
η	0.0001020	Pa×s	581.96	Joback Calculated Property
η	0.0000704	Pa×s	632.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isobutyl neopentyl ester.

Sources

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

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