Chemical Properties of Diglycolic acid, 2,6-dichlorophenyl pentyl ester

InChI

InChI=1S/C15H18Cl2O5/c1-2-3-4-8-21-13(18)9-20-10-14(19)22-15-11(16)6-5-7-12(15)17/h5-7H,2-4,8-10H2,1H3

InChI Key

RQLUHGKIMHFAAQ-UHFFFAOYSA-N

Formula

C15H18Cl2O5

SMILES

CCCCCOC(=O)COCC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

349.21

• 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).
• IE : Ionization energy (eV).
• 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°	46.19	kJ/mol	Joback Calculated Property
ΔvapH°	96.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	3.649		Crippen Calculated Property
McVol	243.680	ml/mol	McGowan Calculated Property
Pc	1682.41	kPa	Joback Calculated Property
Inp	[2861.00; 2861.00]
Inp	2861.00		NIST
Inp	2861.00		NIST
Tboil	609.54	K	Relay (1.0) Calculated Property
Tfus	305.86	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 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	[661.64; 719.83]	J/mol×K	[793.16; 999.89]
Cp,gas	661.64	J/mol×K	793.16	Joback Calculated Property
Cp,gas	674.01	J/mol×K	827.62	Joback Calculated Property
Cp,gas	685.32	J/mol×K	862.07	Joback Calculated Property
Cp,gas	695.55	J/mol×K	896.53	Joback Calculated Property
Cp,gas	704.72	J/mol×K	930.98	Joback Calculated Property
Cp,gas	712.81	J/mol×K	965.44	Joback Calculated Property
Cp,gas	719.83	J/mol×K	999.89	Joback Calculated Property
η	[0.0000491; 0.0005531]	Pa×s	[477.00; 793.16]
η	0.0005531	Pa×s	477.00	Joback Calculated Property
η	0.0003022	Pa×s	529.69	Joback Calculated Property
η	0.0001842	Pa×s	582.39	Joback Calculated Property
η	0.0001219	Pa×s	635.08	Joback Calculated Property
η	0.0000859	Pa×s	687.77	Joback Calculated Property
η	0.0000637	Pa×s	740.47	Joback Calculated Property
η	0.0000491	Pa×s	793.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,6-dichlorophenyl pentyl 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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