Chemical Properties of Diglycolic acid, propyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C13H13Cl3O5/c1-2-3-20-11(17)6-19-7-12(18)21-13-9(15)4-8(14)5-10(13)16/h4-5H,2-3,6-7H2,1H3

InChI Key

IRYCTTVNVHSBRD-UHFFFAOYSA-N

Formula

C13H13Cl3O5

SMILES

CCCOC(=O)COCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

355.60

• 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°	44.82	kJ/mol	Joback Calculated Property
logPoct/wat	3.522		Crippen Calculated Property
McVol	227.740	ml/mol	McGowan Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		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	[319.95; 621.89]	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			1.15054e+02
Coefficient B			8.29020e-01
Coefficient C			-2.74480e-04
Coefficient D			-4.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.95	J/mol×K	273.00	Calculated Property
Cp,gas	371.88	J/mol×K	353.78	Calculated Property
Cp,gas	419.56	J/mol×K	434.56	Calculated Property
Cp,gas	462.85	J/mol×K	515.33	Calculated Property
Cp,gas	501.60	J/mol×K	596.11	Calculated Property
Cp,gas	535.65	J/mol×K	676.89	Calculated Property
Cp,gas	564.86	J/mol×K	757.67	Calculated Property
Cp,gas	589.07	J/mol×K	838.44	Calculated Property
Cp,gas	608.13	J/mol×K	919.22	Calculated Property
Cp,gas	621.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004692; 0.0000883]	Pa×s	[496.90; 703.14]	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			-1.33592e+01
Coefficient B			2.82965e+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.			496.90
Temperature range, max.			703.14
η	0.0004692	Pa×s	496.90	Calculated Property
η	0.0003650	Pa×s	519.82	Calculated Property
η	0.0002900	Pa×s	542.73	Calculated Property
η	0.0002348	Pa×s	565.65	Calculated Property
η	0.0001933	Pa×s	588.56	Calculated Property
η	0.0001614	Pa×s	611.48	Calculated Property
η	0.0001366	Pa×s	634.39	Calculated Property
η	0.0001169	Pa×s	657.31	Calculated Property
η	0.0001011	Pa×s	680.22	Calculated Property
η	0.0000883	Pa×s	703.14	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, propyl 2,4,6-trichlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.