Chemical Properties of Diglycolic acid, 2,4-dichloronaphth-1-yl ethyl ester

InChI

InChI=1S/C16H14Cl2O5/c1-2-22-14(19)8-21-9-15(20)23-16-11-6-4-3-5-10(11)12(17)7-13(16)18/h3-7H,2,8-9H2,1H3

InChI Key

RNRCTXWRRNCISG-UHFFFAOYSA-N

Formula

C16H14Cl2O5

SMILES

CCOC(=O)COCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

357.19

• 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°	45.41	kJ/mol	Joback Calculated Property
logPoct/wat	3.632		Crippen Calculated Property
McVol	238.310	ml/mol	McGowan Calculated Property
Inp	[3178.00; 3178.00]
Inp	3178.00		NIST
Inp	3178.00		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	[329.19; 677.61]	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			6.79930e+01
Coefficient B			1.10352e+00
Coefficient C			-5.54000e-04
Coefficient D			6.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.19	J/mol×K	273.00	Calculated Property
Cp,gas	391.72	J/mol×K	353.78	Calculated Property
Cp,gas	447.85	J/mol×K	434.56	Calculated Property
Cp,gas	497.77	J/mol×K	515.33	Calculated Property
Cp,gas	541.68	J/mol×K	596.11	Calculated Property
Cp,gas	579.76	J/mol×K	676.89	Calculated Property
Cp,gas	612.20	J/mol×K	757.67	Calculated Property
Cp,gas	639.20	J/mol×K	838.44	Calculated Property
Cp,gas	660.94	J/mol×K	919.22	Calculated Property
Cp,gas	677.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005100; 0.0001251]	Pa×s	[533.49; 744.76]	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			-1.25357e+01
Coefficient B			2.64325e+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.			533.49
Temperature range, max.			744.76
η	0.0005100	Pa×s	533.49	Calculated Property
η	0.0004139	Pa×s	556.96	Calculated Property
η	0.0003416	Pa×s	580.44	Calculated Property
η	0.0002862	Pa×s	603.91	Calculated Property
η	0.0002430	Pa×s	627.39	Calculated Property
η	0.0002087	Pa×s	650.86	Calculated Property
η	0.0001812	Pa×s	674.34	Calculated Property
η	0.0001588	Pa×s	697.81	Calculated Property
η	0.0001404	Pa×s	721.29	Calculated Property
η	0.0001251	Pa×s	744.76	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,4-dichloronaphth-1-yl 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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