Chemical Properties of Diglycolic acid, 3-chlorophenyl propyl ester

InChI

InChI=1S/C13H15ClO5/c1-2-6-18-12(15)8-17-9-13(16)19-11-5-3-4-10(14)7-11/h3-5,7H,2,6,8-9H2,1H3

InChI Key

RXSYAOKEBWMLIF-UHFFFAOYSA-N

Formula

C13H15ClO5

SMILES

CCCOC(=O)COCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

286.71

• 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).
• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.20	kJ/mol	Joback Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	2.215		Crippen Calculated Property
McVol	203.260	ml/mol	McGowan Calculated Property
Inp	[2475.00; 2475.00]
Inp	2475.00		NIST
Inp	2475.00		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 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	[288.04; 611.43]	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			6.06740e+01
Coefficient B			9.34420e-01
Coefficient C			-3.67760e-04
Coefficient D			-1.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	288.04	J/mol×K	273.00	Calculated Property
Cp,gas	344.52	J/mol×K	353.78	Calculated Property
Cp,gas	395.98	J/mol×K	434.56	Calculated Property
Cp,gas	442.37	J/mol×K	515.33	Calculated Property
Cp,gas	483.64	J/mol×K	596.11	Calculated Property
Cp,gas	519.74	J/mol×K	676.89	Calculated Property
Cp,gas	550.62	J/mol×K	757.67	Calculated Property
Cp,gas	576.23	J/mol×K	838.44	Calculated Property
Cp,gas	596.52	J/mol×K	919.22	Calculated Property
Cp,gas	611.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010184; 0.0001100]	Pa×s	[412.02; 637.93]	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			-1.31745e+01
Coefficient B			2.58953e+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.			412.02
Temperature range, max.			637.93
η	0.0010184	Pa×s	412.02	Calculated Property
η	0.0007098	Pa×s	437.12	Calculated Property
η	0.0005146	Pa×s	462.22	Calculated Property
η	0.0003856	Pa×s	487.32	Calculated Property
η	0.0002972	Pa×s	512.42	Calculated Property
η	0.0002347	Pa×s	537.53	Calculated Property
η	0.0001893	Pa×s	562.63	Calculated Property
η	0.0001556	Pa×s	587.73	Calculated Property
η	0.0001299	Pa×s	612.83	Calculated Property
η	0.0001100	Pa×s	637.93	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 3-chlorophenyl propyl 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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