Chemical Properties of Diglycolic acid, di(2,4,4-trimethylpentyl) ester

InChI

InChI=1S/C20H38O5/c1-15(9-19(3,4)5)11-24-17(21)13-23-14-18(22)25-12-16(2)10-20(6,7)8/h15-16H,9-14H2,1-8H3

InChI Key

BGSIVQJXQZWKLE-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

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

Molecular Weight¹

358.52

• 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).
• 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°	35.61	kJ/mol	Joback Calculated Property
ΔvapH°	84.55	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.234		Crippen Calculated Property
McVol	313.410	ml/mol	McGowan Calculated Property
Inp	[2628.00; 2628.00]
Inp	2628.00		NIST
Inp	2628.00		NIST
Tboil	619.81	K	Relay (1.0) Calculated Property
Tfus	301.38	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, 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	[987.29; 1081.09]	J/mol×K	[788.72; 976.89]
Cp,gas	987.29	J/mol×K	788.72	Joback Calculated Property
Cp,gas	1005.85	J/mol×K	820.08	Joback Calculated Property
Cp,gas	1023.19	J/mol×K	851.44	Joback Calculated Property
Cp,gas	1039.35	J/mol×K	882.81	Joback Calculated Property
Cp,gas	1054.36	J/mol×K	914.17	Joback Calculated Property
Cp,gas	1068.26	J/mol×K	945.53	Joback Calculated Property
Cp,gas	1081.09	J/mol×K	976.89	Joback Calculated Property
η	[0.0000173; 0.0016703]	Pa×s	[396.89; 788.72]
η	0.0016703	Pa×s	396.89	Joback Calculated Property
η	0.0004552	Pa×s	462.19	Joback Calculated Property
η	0.0001711	Pa×s	527.50	Joback Calculated Property
η	0.0000798	Pa×s	592.81	Joback Calculated Property
η	0.0000433	Pa×s	658.11	Joback Calculated Property
η	0.0000262	Pa×s	723.41	Joback Calculated Property
η	0.0000173	Pa×s	788.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(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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