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

InChI

InChI=1S/C18H34O5/c1-6-7-8-9-10-22-16(19)13-21-14-17(20)23-12-15(2)11-18(3,4)5/h15H,6-14H2,1-5H3

InChI Key

JODLFGWCCUEJEX-UHFFFAOYSA-N

Formula

C18H34O5

SMILES

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

Molecular Weight¹

330.46

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.36	kJ/mol	Joback Calculated Property
ΔvapH°	84.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.742		Crippen Calculated Property
McVol	285.230	ml/mol	McGowan Calculated Property
Inp	[2564.00; 2564.00]
Inp	2564.00		NIST
Inp	2564.00		NIST
Tboil	612.27	K	Relay (1.0) Calculated Property
Tfus	255.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[866.72; 957.83]	J/mol×K	[746.63; 926.79]
Cp,gas	866.72	J/mol×K	746.63	Joback Calculated Property
Cp,gas	884.48	J/mol×K	776.66	Joback Calculated Property
Cp,gas	901.19	J/mol×K	806.68	Joback Calculated Property
Cp,gas	916.87	J/mol×K	836.71	Joback Calculated Property
Cp,gas	931.52	J/mol×K	866.73	Joback Calculated Property
Cp,gas	945.17	J/mol×K	896.76	Joback Calculated Property
Cp,gas	957.83	J/mol×K	926.79	Joback Calculated Property
η	[0.0000321; 0.0016960]	Pa×s	[386.93; 746.63]
η	0.0016960	Pa×s	386.93	Joback Calculated Property
η	0.0005621	Pa×s	446.88	Joback Calculated Property
η	0.0002419	Pa×s	506.83	Joback Calculated Property
η	0.0001244	Pa×s	566.78	Joback Calculated Property
η	0.0000727	Pa×s	626.73	Joback Calculated Property
η	0.0000466	Pa×s	686.68	Joback Calculated Property
η	0.0000321	Pa×s	746.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, hexyl 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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