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_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	0.7584		Relay (... Calculated Property
ΔfG°	-513.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1101.33	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	68.20	kJ/mol	Relay (... Calculated Property
IE	9.51	eV	Relay (... Calculated Property
log10WS	-2.52		Relay (... Calculated Property
logPoct/wat	1.791		Crippen Calculated Property
McVol	214.780	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	560.18	K	Relay (... Calculated Property
Tc	712.52	K	Relay (... Calculated Property
Tfus	284.80	K	Relay (... Calculated Property
Vc	0.816	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.63; 681.38]	J/mol×K	[668.17; 854.57]
Cp,gas	599.63	J/mol×K	668.17	Joback Calculated Property
Cp,gas	615.26	J/mol×K	699.24	Joback Calculated Property
Cp,gas	630.08	J/mol×K	730.30	Joback Calculated Property
Cp,gas	644.10	J/mol×K	761.37	Joback Calculated Property
Cp,gas	657.32	J/mol×K	792.44	Joback Calculated Property
Cp,gas	669.74	J/mol×K	823.51	Joback Calculated Property
Cp,gas	681.38	J/mol×K	854.57	Joback Calculated Property
η	[0.0000830; 0.0014313]	Pa×s	[390.24; 668.17]
η	0.0014313	Pa×s	390.24	Joback Calculated Property
η	0.0006922	Pa×s	436.56	Joback Calculated Property
η	0.0003849	Pa×s	482.88	Joback Calculated Property
η	0.0002371	Pa×s	529.21	Joback Calculated Property
η	0.0001580	Pa×s	575.53	Joback Calculated Property
η	0.0001118	Pa×s	621.85	Joback Calculated Property
η	0.0000830	Pa×s	668.17	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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