Chemical Properties of Diglycolic acid, 2,3-dichlorophenyl heptyl ester

InChI

InChI=1S/C17H22Cl2O5/c1-2-3-4-5-6-10-23-15(20)11-22-12-16(21)24-14-9-7-8-13(18)17(14)19/h7-9H,2-6,10-12H2,1H3

InChI Key

NWQZTHMKGOTFAA-UHFFFAOYSA-N

Formula

C17H22Cl2O5

SMILES

CCCCCCCOC(=O)COCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

377.26

• 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°	51.37	kJ/mol	Joback Calculated Property
ΔvapH°	104.60	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	4.429		Crippen Calculated Property
McVol	271.860	ml/mol	McGowan Calculated Property
Pc	1445.73	kPa	Joback Calculated Property
Inp	[3193.00; 3193.00]
Inp	3193.00		NIST
Inp	3193.00		NIST
Tboil	646.67	K	Relay (1.0) Calculated Property
Tfus	304.88	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	[772.89; 832.31]	J/mol×K	[838.92; 1044.19]
Cp,gas	772.89	J/mol×K	838.92	Joback Calculated Property
Cp,gas	785.69	J/mol×K	873.13	Joback Calculated Property
Cp,gas	797.33	J/mol×K	907.34	Joback Calculated Property
Cp,gas	807.81	J/mol×K	941.55	Joback Calculated Property
Cp,gas	817.12	J/mol×K	975.76	Joback Calculated Property
Cp,gas	825.29	J/mol×K	1009.98	Joback Calculated Property
Cp,gas	832.31	J/mol×K	1044.19	Joback Calculated Property
η	[0.0000365; 0.0004448]	Pa×s	[499.54; 838.92]
η	0.0004448	Pa×s	499.54	Joback Calculated Property
η	0.0002373	Pa×s	556.10	Joback Calculated Property
η	0.0001421	Pa×s	612.67	Joback Calculated Property
η	0.0000929	Pa×s	669.23	Joback Calculated Property
η	0.0000648	Pa×s	725.79	Joback Calculated Property
η	0.0000477	Pa×s	782.36	Joback Calculated Property
η	0.0000365	Pa×s	838.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,3-dichlorophenyl 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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