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

InChI

InChI=1S/C16H20Cl2O5/c1-2-3-4-5-9-22-14(19)10-21-11-15(20)23-13-8-6-7-12(17)16(13)18/h6-8H,2-5,9-11H2,1H3

InChI Key

POKUFUFTSBWCLX-UHFFFAOYSA-N

Formula

C16H20Cl2O5

SMILES

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

Molecular Weight¹

363.23

• 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°	48.78	kJ/mol	Joback Calculated Property
ΔvapH°	101.39	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.039		Crippen Calculated Property
McVol	257.770	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[3068.00; 3068.00]
Inp	3068.00		NIST
Inp	3068.00		NIST
Tboil	639.30	K	Relay (1.0) Calculated Property
Tfus	301.61	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	[716.83; 775.77]	J/mol×K	[816.04; 1021.72]
Cp,gas	716.83	J/mol×K	816.04	Joback Calculated Property
Cp,gas	729.44	J/mol×K	850.32	Joback Calculated Property
Cp,gas	740.93	J/mol×K	884.60	Joback Calculated Property
Cp,gas	751.31	J/mol×K	918.88	Joback Calculated Property
Cp,gas	760.57	J/mol×K	953.16	Joback Calculated Property
Cp,gas	768.73	J/mol×K	987.44	Joback Calculated Property
Cp,gas	775.77	J/mol×K	1021.72	Joback Calculated Property
η	[0.0000424; 0.0004969]	Pa×s	[488.27; 816.04]
η	0.0004969	Pa×s	488.27	Joback Calculated Property
η	0.0002682	Pa×s	542.90	Joback Calculated Property
η	0.0001621	Pa×s	597.53	Joback Calculated Property
η	0.0001065	Pa×s	652.15	Joback Calculated Property
η	0.0000747	Pa×s	706.78	Joback Calculated Property
η	0.0000552	Pa×s	761.41	Joback Calculated Property
η	0.0000424	Pa×s	816.04	Joback Calculated Property

Similar Compounds

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