Chemical Properties of Diglycolic acid, 4-chloro-2-methylphenyl heptyl ester

InChI

InChI=1S/C18H25ClO5/c1-3-4-5-6-7-10-23-17(20)12-22-13-18(21)24-16-9-8-15(19)11-14(16)2/h8-9,11H,3-7,10,12-13H2,1-2H3

InChI Key

FENJXVXJIMOQQT-UHFFFAOYSA-N

Formula

C18H25ClO5

SMILES

CCCCCCCOC(=O)COCC(=O)Oc1ccc(Cl)cc1C

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).
• 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°	49.76	kJ/mol	Joback Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
McVol	273.710	ml/mol	McGowan Calculated Property
Inp	[3083.00; 3083.00]
Inp	3083.00		NIST
Inp	3083.00		NIST
Tboil	647.38	K	Relay (1.0) Calculated Property
Tfus	299.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[804.54; 872.55]	J/mol×K	[824.37; 1025.03]
Cp,gas	804.54	J/mol×K	824.37	Joback Calculated Property
Cp,gas	818.80	J/mol×K	857.81	Joback Calculated Property
Cp,gas	831.88	J/mol×K	891.26	Joback Calculated Property
Cp,gas	843.79	J/mol×K	924.70	Joback Calculated Property
Cp,gas	854.53	J/mol×K	958.14	Joback Calculated Property
Cp,gas	864.12	J/mol×K	991.59	Joback Calculated Property
Cp,gas	872.55	J/mol×K	1025.03	Joback Calculated Property
η	[0.0000369; 0.0005008]	Pa×s	[480.89; 824.37]
η	0.0005008	Pa×s	480.89	Joback Calculated Property
η	0.0002574	Pa×s	538.14	Joback Calculated Property
η	0.0001503	Pa×s	595.38	Joback Calculated Property
η	0.0000965	Pa×s	652.63	Joback Calculated Property
η	0.0000665	Pa×s	709.88	Joback Calculated Property
η	0.0000485	Pa×s	767.12	Joback Calculated Property
η	0.0000369	Pa×s	824.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl heptyl 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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