Chemical Properties of Diglycolic acid, 4-chlorobenzyl hexyl ester

InChI

InChI=1S/C17H23ClO5/c1-2-3-4-5-10-22-16(19)12-21-13-17(20)23-11-14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3

InChI Key

UYQDRSZOPXMLML-UHFFFAOYSA-N

Formula

C17H23ClO5

SMILES

CCCCCCOC(=O)COCC(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

342.81

• 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).
• P_c : Critical Pressure (kPa).
• 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°	47.56	kJ/mol	Joback Calculated Property
ΔvapH°	100.54	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	3.523		Crippen Calculated Property
McVol	259.620	ml/mol	McGowan Calculated Property
Pc	1504.65	kPa	Joback Calculated Property
Inp	[3125.00; 3125.00]
Inp	3125.00		NIST
Inp	3125.00		NIST
Tboil	645.56	K	Relay (1.0) Calculated Property
Tfus	286.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[748.64; 816.96]	J/mol×K	[796.51; 996.51]
Cp,gas	748.64	J/mol×K	796.51	Joback Calculated Property
Cp,gas	762.81	J/mol×K	829.84	Joback Calculated Property
Cp,gas	775.86	J/mol×K	863.18	Joback Calculated Property
Cp,gas	787.80	J/mol×K	896.51	Joback Calculated Property
Cp,gas	798.62	J/mol×K	929.84	Joback Calculated Property
Cp,gas	808.34	J/mol×K	963.17	Joback Calculated Property
Cp,gas	816.96	J/mol×K	996.51	Joback Calculated Property
η	[0.0000424; 0.0006737]	Pa×s	[457.10; 796.51]
η	0.0006737	Pa×s	457.10	Joback Calculated Property
η	0.0003297	Pa×s	513.67	Joback Calculated Property
η	0.0001859	Pa×s	570.24	Joback Calculated Property
η	0.0001163	Pa×s	626.81	Joback Calculated Property
η	0.0000786	Pa×s	683.37	Joback Calculated Property
η	0.0000564	Pa×s	739.94	Joback Calculated Property
η	0.0000424	Pa×s	796.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-chlorobenzyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• 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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