Chemical Properties of Diglycolic acid, 4-chlorobenzyl nonyl ester

InChI

InChI=1S/C20H29ClO5/c1-2-3-4-5-6-7-8-13-25-19(22)15-24-16-20(23)26-14-17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3

InChI Key

LCKGRVJKRUMRKM-UHFFFAOYSA-N

Formula

C20H29ClO5

SMILES

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

Molecular Weight¹

384.90

• 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°	55.33	kJ/mol	Joback Calculated Property
ΔvapH°	111.35	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	4.694		Crippen Calculated Property
McVol	301.890	ml/mol	McGowan Calculated Property
Pc	1217.44	kPa	Joback Calculated Property
Inp	[3475.00; 3475.00]
Inp	3475.00		NIST
Inp	3475.00		NIST
Tboil	667.06	K	Relay (1.0) Calculated Property
Tfus	296.89	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	[921.41; 990.46]	J/mol×K	[865.15; 1066.65]
Cp,gas	921.41	J/mol×K	865.15	Joback Calculated Property
Cp,gas	936.06	J/mol×K	898.73	Joback Calculated Property
Cp,gas	949.44	J/mol×K	932.32	Joback Calculated Property
Cp,gas	961.55	J/mol×K	965.90	Joback Calculated Property
Cp,gas	972.41	J/mol×K	999.48	Joback Calculated Property
Cp,gas	982.04	J/mol×K	1033.07	Joback Calculated Property
Cp,gas	990.46	J/mol×K	1066.65	Joback Calculated Property
η	[0.0000270; 0.0004735]	Pa×s	[490.91; 865.15]
η	0.0004735	Pa×s	490.91	Joback Calculated Property
η	0.0002245	Pa×s	553.28	Joback Calculated Property
η	0.0001239	Pa×s	615.66	Joback Calculated Property
η	0.0000762	Pa×s	678.03	Joback Calculated Property
η	0.0000509	Pa×s	740.40	Joback Calculated Property
η	0.0000362	Pa×s	802.78	Joback Calculated Property
η	0.0000270	Pa×s	865.15	Joback Calculated Property

Similar Compounds

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