Chemical Properties of Diglycolic acid, di(octyl) ester

InChI

InChI=1S/C20H38O5/c1-3-5-7-9-11-13-15-24-19(21)17-23-18-20(22)25-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChI Key

RIDUWSCSWADNHH-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

CCCCCCCCOC(=O)COCC(=O)OCCCCCCCC

Molecular Weight¹

358.51

Other Names

• dioctyl 2,2'-oxydiacetate
• dioctyl diglycolate

• 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	1.0942		Relay (1.0) Calculated Property
ΔfH°gas	-1191.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.48	kJ/mol	Joback Calculated Property
ΔvapH°	100.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	4.810		Crippen Calculated Property
McVol	313.410	ml/mol	McGowan Calculated Property
Pc	1011.02	kPa	Joback Calculated Property
Inp	[3004.00; 3004.00]
Inp	3004.00		NIST
Inp	3004.00		NIST
Tboil	629.11	K	Relay (1.0) Calculated Property
Tc	796.60	K	Relay (1.0) Calculated Property
Tfus	293.38	K	Relay (1.0) Calculated Property
Vc	1.214	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	[984.04; 1076.66]	J/mol×K	[796.06; 976.41]
Cp,gas	984.04	J/mol×K	796.06	Joback Calculated Property
Cp,gas	1002.25	J/mol×K	826.12	Joback Calculated Property
Cp,gas	1019.34	J/mol×K	856.18	Joback Calculated Property
Cp,gas	1035.31	J/mol×K	886.23	Joback Calculated Property
Cp,gas	1050.18	J/mol×K	916.29	Joback Calculated Property
Cp,gas	1063.96	J/mol×K	946.35	Joback Calculated Property
Cp,gas	1076.66	J/mol×K	976.41	Joback Calculated Property
η	[0.0000313; 0.0009816]	Pa×s	[422.05; 796.06]
η	0.0009816	Pa×s	422.05	Joback Calculated Property
η	0.0003820	Pa×s	484.38	Joback Calculated Property
η	0.0001844	Pa×s	546.72	Joback Calculated Property
η	0.0001033	Pa×s	609.05	Joback Calculated Property
η	0.0000644	Pa×s	671.39	Joback Calculated Property
η	0.0000436	Pa×s	733.72	Joback Calculated Property
η	0.0000313	Pa×s	796.06	Joback Calculated Property

Similar Compounds

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

Mixtures

• Carbon dioxide + Diglycolic acid, di(octyl) ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• New Highly CO2-Philic Diglycolic Acid Esters: Synthesis and Solubility in Supercritical Carbon Dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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