Chemical Properties of Diglycolic acid, decyl neopentyl ester

InChI

InChI=1S/C19H36O5/c1-5-6-7-8-9-10-11-12-13-23-17(20)14-22-15-18(21)24-16-19(2,3)4/h5-16H2,1-4H3

InChI Key

IIWJIVFHXQNTOU-UHFFFAOYSA-N

Formula

C19H36O5

SMILES

CCCCCCCCCCOC(=O)COCC(=O)OCC(C)(C)C

Molecular Weight¹

344.49

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1194.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.31	kJ/mol	Joback Calculated Property
ΔvapH°	90.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	4.276		Crippen Calculated Property
McVol	299.320	ml/mol	McGowan Calculated Property
Pc	1150.65	kPa	Joback Calculated Property
Inp	[2747.00; 2747.00]
Inp	2747.00		NIST
Inp	2747.00		NIST
Tboil	619.91	K	Relay (1.0) Calculated Property
Tc	779.74	K	Relay (1.0) Calculated Property
Tfus	302.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[941.33; 1031.48]	J/mol×K	[805.89; 991.96]
Cp,gas	941.33	J/mol×K	805.89	Joback Calculated Property
Cp,gas	958.94	J/mol×K	836.90	Joback Calculated Property
Cp,gas	975.48	J/mol×K	867.91	Joback Calculated Property
Cp,gas	990.99	J/mol×K	898.92	Joback Calculated Property
Cp,gas	1005.48	J/mol×K	929.94	Joback Calculated Property
Cp,gas	1018.97	J/mol×K	960.95	Joback Calculated Property
Cp,gas	1031.48	J/mol×K	991.96	Joback Calculated Property
η	[0.0000370; 0.0006049]	Pa×s	[472.86; 805.89]
η	0.0006049	Pa×s	472.86	Joback Calculated Property
η	0.0002972	Pa×s	528.37	Joback Calculated Property
η	0.0001672	Pa×s	583.87	Joback Calculated Property
η	0.0001039	Pa×s	639.38	Joback Calculated Property
η	0.0000697	Pa×s	694.88	Joback Calculated Property
η	0.0000496	Pa×s	750.38	Joback Calculated Property
η	0.0000370	Pa×s	805.89	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.