Chemical Properties of Diglycolic acid, ethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C14H26O5/c1-6-18-12(15)9-17-10-13(16)19-8-11(2)7-14(3,4)5/h11H,6-10H2,1-5H3

InChI Key

PIWQMEWLHIBKNH-UHFFFAOYSA-N

Formula

C14H26O5

SMILES

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

Molecular Weight¹

274.35

• 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).
• 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
ΔfH°gas	-1113.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.00	kJ/mol	Joback Calculated Property
ΔvapH°	74.89	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.182		Crippen Calculated Property
McVol	228.870	ml/mol	McGowan Calculated Property
Inp	[2084.00; 2084.00]
Inp	2084.00		NIST
Inp	2084.00		NIST
Tboil	573.51	K	Relay (1.0) Calculated Property
Tc	729.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, 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	[640.59; 726.62]	J/mol×K	[655.11; 835.71]
Cp,gas	640.59	J/mol×K	655.11	Joback Calculated Property
Cp,gas	657.14	J/mol×K	685.21	Joback Calculated Property
Cp,gas	672.78	J/mol×K	715.31	Joback Calculated Property
Cp,gas	687.55	J/mol×K	745.41	Joback Calculated Property
Cp,gas	701.43	J/mol×K	775.51	Joback Calculated Property
Cp,gas	714.45	J/mol×K	805.61	Joback Calculated Property
Cp,gas	726.62	J/mol×K	835.71	Joback Calculated Property
η	[0.0000604; 0.0030709]	Pa×s	[341.85; 655.11]
η	0.0030709	Pa×s	341.85	Joback Calculated Property
η	0.0010340	Pa×s	394.06	Joback Calculated Property
η	0.0004492	Pa×s	446.27	Joback Calculated Property
η	0.0002323	Pa×s	498.48	Joback Calculated Property
η	0.0001362	Pa×s	550.69	Joback Calculated Property
η	0.0000876	Pa×s	602.90	Joback Calculated Property
η	0.0000604	Pa×s	655.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, ethyl 2,4,4-trimethylpentyl 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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