Chemical Properties of Diglycolic acid, 4-chlorobenzyl heptyl ester

InChI

InChI=1S/C18H25ClO5/c1-2-3-4-5-6-11-23-17(20)13-22-14-18(21)24-12-15-7-9-16(19)10-8-15/h7-10H,2-6,11-14H2,1H3

InChI Key

QEMHAGHLUIHXER-UHFFFAOYSA-N

Formula

C18H25ClO5

SMILES

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

Molecular Weight¹

356.84

• 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°	50.15	kJ/mol	Joback Calculated Property
ΔvapH°	103.78	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.913		Crippen Calculated Property
McVol	273.710	ml/mol	McGowan Calculated Property
Pc	1398.55	kPa	Joback Calculated Property
Inp	[3250.00; 3250.00]
Inp	3250.00		NIST
Inp	3250.00		NIST
Tboil	652.99	K	Relay (1.0) Calculated Property
Tfus	290.64	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	[805.44; 874.21]	J/mol×K	[819.39; 1019.21]
Cp,gas	805.44	J/mol×K	819.39	Joback Calculated Property
Cp,gas	819.80	J/mol×K	852.69	Joback Calculated Property
Cp,gas	832.99	J/mol×K	886.00	Joback Calculated Property
Cp,gas	845.01	J/mol×K	919.30	Joback Calculated Property
Cp,gas	855.88	J/mol×K	952.60	Joback Calculated Property
Cp,gas	865.61	J/mol×K	985.91	Joback Calculated Property
Cp,gas	874.21	J/mol×K	1019.21	Joback Calculated Property
η	[0.0000366; 0.0006011]	Pa×s	[468.37; 819.39]
η	0.0006011	Pa×s	468.37	Joback Calculated Property
η	0.0002910	Pa×s	526.87	Joback Calculated Property
η	0.0001628	Pa×s	585.38	Joback Calculated Property
η	0.0001013	Pa×s	643.88	Joback Calculated Property
η	0.0000682	Pa×s	702.38	Joback Calculated Property
η	0.0000488	Pa×s	760.89	Joback Calculated Property
η	0.0000366	Pa×s	819.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-chlorobenzyl heptyl 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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