Chemical Properties of Diglycolic acid, 2,4-dichloro-6-formylphenyl ethyl ester

InChI

InChI=1S/C13H12Cl2O6/c1-2-20-11(17)6-19-7-12(18)21-13-8(5-16)3-9(14)4-10(13)15/h3-5H,2,6-7H2,1H3

InChI Key

DHYPOBHZANLWMJ-UHFFFAOYSA-N

Formula

C13H12Cl2O6

SMILES

CCOC(=O)COCC(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

335.14

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.91	kJ/mol	Joback Calculated Property
logPoct/wat	2.291		Crippen Calculated Property
McVol	217.070	ml/mol	McGowan Calculated Property
Inp	[2735.00; 2735.00]
Inp	2735.00		NIST
Inp	2735.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.46; 604.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.13563e+02
Coefficient B			7.96720e-01
Coefficient C			-2.47080e-04
Coefficient D			-5.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.46	J/mol×K	273.00	Calculated Property
Cp,gas	361.90	J/mol×K	353.78	Calculated Property
Cp,gas	408.30	J/mol×K	434.56	Calculated Property
Cp,gas	450.48	J/mol×K	515.33	Calculated Property
Cp,gas	488.24	J/mol×K	596.11	Calculated Property
Cp,gas	521.41	J/mol×K	676.89	Calculated Property
Cp,gas	549.80	J/mol×K	757.67	Calculated Property
Cp,gas	573.22	J/mol×K	838.44	Calculated Property
Cp,gas	591.48	J/mol×K	919.22	Calculated Property
Cp,gas	604.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005437; 0.0001110]	Pa×s	[508.98; 710.52]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31185e+01
Coefficient B			2.85096e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			508.98
Temperature range, max.			710.52
η	0.0005437	Pa×s	508.98	Calculated Property
η	0.0004294	Pa×s	531.37	Calculated Property
η	0.0003456	Pa×s	553.77	Calculated Property
η	0.0002830	Pa×s	576.16	Calculated Property
η	0.0002351	Pa×s	598.55	Calculated Property
η	0.0001980	Pa×s	620.94	Calculated Property
η	0.0001688	Pa×s	643.34	Calculated Property
η	0.0001454	Pa×s	665.73	Calculated Property
η	0.0001265	Pa×s	688.12	Calculated Property
η	0.0001110	Pa×s	710.52	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,4-dichloro-6-formylphenyl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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