Chemical Properties of Diglycolic acid, isohexyl 2-naphthyl ester

InChI

InChI=1S/C20H24O5/c1-15(2)6-5-11-24-19(21)13-23-14-20(22)25-18-10-9-16-7-3-4-8-17(16)12-18/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3

InChI Key

JXZCTQNGFAHKPH-UHFFFAOYSA-N

Formula

C20H24O5

SMILES

CC(C)CCCOC(=O)COCC(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

344.40

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.47	kJ/mol	Joback Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	3.741		Crippen Calculated Property
McVol	270.190	ml/mol	McGowan Calculated Property
Inp	[3336.00; 3336.00]
Inp	3336.00		NIST
Inp	3336.00		NIST
Tfus	347.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, 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 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	[831.15; 898.71]	J/mol×K	[882.20; 1098.37]
Cp,gas	831.15	J/mol×K	882.20	Joback Calculated Property
Cp,gas	845.23	J/mol×K	918.23	Joback Calculated Property
Cp,gas	858.13	J/mol×K	954.26	Joback Calculated Property
Cp,gas	869.89	J/mol×K	990.29	Joback Calculated Property
Cp,gas	880.56	J/mol×K	1026.32	Joback Calculated Property
Cp,gas	890.15	J/mol×K	1062.34	Joback Calculated Property
Cp,gas	898.71	J/mol×K	1098.37	Joback Calculated Property
η	[0.0000751; 0.0005597]	Pa×s	[538.35; 882.20]
η	0.0005597	Pa×s	538.35	Joback Calculated Property
η	0.0003409	Pa×s	595.66	Joback Calculated Property
η	0.0002265	Pa×s	652.97	Joback Calculated Property
η	0.0001608	Pa×s	710.27	Joback Calculated Property
η	0.0001201	Pa×s	767.58	Joback Calculated Property
η	0.0000934	Pa×s	824.89	Joback Calculated Property
η	0.0000751	Pa×s	882.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isohexyl 2-naphthyl 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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