Chemical Properties of Diglycolic acid, 4-chlorobenzyl decyl ester

InChI

InChI=1S/C21H31ClO5/c1-2-3-4-5-6-7-8-9-14-26-20(23)16-25-17-21(24)27-15-18-10-12-19(22)13-11-18/h10-13H,2-9,14-17H2,1H3

InChI Key

LNWUEUDZTRVYAT-UHFFFAOYSA-N

Formula

C21H31ClO5

SMILES

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

Molecular Weight¹

398.92

• 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°	57.92	kJ/mol	Joback Calculated Property
ΔvapH°	115.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	5.084		Crippen Calculated Property
McVol	315.980	ml/mol	McGowan Calculated Property
Pc	1139.80	kPa	Joback Calculated Property
Inp	[3604.00; 3604.00]
Inp	3604.00		NIST
Inp	3604.00		NIST
Tboil	674.01	K	Relay (1.0) Calculated Property
Tfus	299.89	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	[980.42; 1049.36]	J/mol×K	[888.03; 1091.49]
Cp,gas	980.42	J/mol×K	888.03	Joback Calculated Property
Cp,gas	995.20	J/mol×K	921.94	Joback Calculated Property
Cp,gas	1008.64	J/mol×K	955.85	Joback Calculated Property
Cp,gas	1020.76	J/mol×K	989.76	Joback Calculated Property
Cp,gas	1031.57	J/mol×K	1023.67	Joback Calculated Property
Cp,gas	1041.10	J/mol×K	1057.58	Joback Calculated Property
Cp,gas	1049.36	J/mol×K	1091.49	Joback Calculated Property
η	[0.0000232; 0.0004182]	Pa×s	[502.18; 888.03]
η	0.0004182	Pa×s	502.18	Joback Calculated Property
η	0.0001964	Pa×s	566.49	Joback Calculated Property
η	0.0001076	Pa×s	630.80	Joback Calculated Property
η	0.0000659	Pa×s	695.11	Joback Calculated Property
η	0.0000439	Pa×s	759.41	Joback Calculated Property
η	0.0000311	Pa×s	823.72	Joback Calculated Property
η	0.0000232	Pa×s	888.03	Joback Calculated Property

Similar Compounds

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