Chemical Properties of Diglycolic acid, isohexyl 2-methylbutyl ester

InChI

InChI=1S/C15H28O5/c1-5-13(4)9-20-15(17)11-18-10-14(16)19-8-6-7-12(2)3/h12-13H,5-11H2,1-4H3

InChI Key

AHUIXQXHCCAIBN-UHFFFAOYSA-N

Formula

C15H28O5

SMILES

CCC(C)COC(=O)COCC(=O)OCCCC(C)C

Molecular Weight¹

288.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.49	kJ/mol	Joback Calculated Property
logPoct/wat	2.572		Crippen Calculated Property
McVol	242.960	ml/mol	McGowan Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	589.02	K	Relay (1.0) Calculated Property
Tc	746.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[693.51; 780.80]	J/mol×K	[680.78; 856.43]
Cp,gas	693.51	J/mol×K	680.78	Joback Calculated Property
Cp,gas	710.22	J/mol×K	710.06	Joback Calculated Property
Cp,gas	726.07	J/mol×K	739.33	Joback Calculated Property
Cp,gas	741.05	J/mol×K	768.61	Joback Calculated Property
Cp,gas	755.16	J/mol×K	797.88	Joback Calculated Property
Cp,gas	768.42	J/mol×K	827.16	Joback Calculated Property
Cp,gas	780.80	J/mol×K	856.43	Joback Calculated Property
η	[0.0000563; 0.0033200]	Pa×s	[335.70; 680.78]
η	0.0033200	Pa×s	335.70	Joback Calculated Property
η	0.0010239	Pa×s	393.21	Joback Calculated Property
η	0.0004263	Pa×s	450.73	Joback Calculated Property
η	0.0002164	Pa×s	508.24	Joback Calculated Property
η	0.0001261	Pa×s	565.75	Joback Calculated Property
η	0.0000812	Pa×s	623.27	Joback Calculated Property
η	0.0000563	Pa×s	680.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isohexyl 2-methylbutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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