Chemical Properties of Diglycolic acid, 2,3-dichlorophenyl isobutyl ester

InChI

InChI=1S/C14H16Cl2O5/c1-9(2)6-20-12(17)7-19-8-13(18)21-11-5-3-4-10(15)14(11)16/h3-5,9H,6-8H2,1-2H3

InChI Key

CPVONGRCRPNNBT-UHFFFAOYSA-N

Formula

C14H16Cl2O5

SMILES

CC(C)COC(=O)COCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

335.18

• 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°	40.08	kJ/mol	Joback Calculated Property
logPoct/wat	3.115		Crippen Calculated Property
McVol	229.590	ml/mol	McGowan Calculated Property
Inp	[2746.00; 2746.00]
Inp	2746.00		NIST
Inp	2746.00		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	[324.89; 668.79]	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			8.52730e+01
Coefficient B			9.82640e-01
Coefficient C			-3.78720e-04
Coefficient D			-2.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.89	J/mol×K	273.00	Calculated Property
Cp,gas	384.61	J/mol×K	353.78	Calculated Property
Cp,gas	439.09	J/mol×K	434.56	Calculated Property
Cp,gas	488.29	J/mol×K	515.33	Calculated Property
Cp,gas	532.14	J/mol×K	596.11	Calculated Property
Cp,gas	570.56	J/mol×K	676.89	Calculated Property
Cp,gas	603.51	J/mol×K	757.67	Calculated Property
Cp,gas	630.90	J/mol×K	838.44	Calculated Property
Cp,gas	652.69	J/mol×K	919.22	Calculated Property
Cp,gas	668.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007123; 0.0000815]	Pa×s	[450.73; 686.91]	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			-1.35513e+01
Coefficient B			2.84157e+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.			450.73
Temperature range, max.			686.91
η	0.0007123	Pa×s	450.73	Calculated Property
η	0.0005036	Pa×s	476.97	Calculated Property
η	0.0003691	Pa×s	503.21	Calculated Property
η	0.0002790	Pa×s	529.46	Calculated Property
η	0.0002165	Pa×s	555.70	Calculated Property
η	0.0001719	Pa×s	581.94	Calculated Property
η	0.0001393	Pa×s	608.18	Calculated Property
η	0.0001148	Pa×s	634.42	Calculated Property
η	0.0000961	Pa×s	660.66	Calculated Property
η	0.0000815	Pa×s	686.91	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,3-dichlorophenyl isobutyl 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

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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