Chemical Properties of 3-(4-Chloro-2-methyl phenoxy)-1,2-propanediol-bis-(2,2-dichloropropionate)

InChI

InChI=1S/C16H17Cl5O5/c1-9-6-10(17)4-5-12(9)24-7-11(26-14(23)16(3,20)21)8-25-13(22)15(2,18)19/h4-6,11H,7-8H2,1-3H3

InChI Key

AOINDYIVJHQCMT-UHFFFAOYSA-N

Formula

C16H17Cl5O5

SMILES

Cc1cc(Cl)ccc1OCC(COC(=O)C(C)(Cl)Cl)OC(=O)C(C)(Cl)Cl

Molecular Weight¹

466.57

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[404.61; 799.72]	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			7.31820e+01
Coefficient B			1.44466e+00
Coefficient C			-8.92320e-04
Coefficient D			1.74200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.61	J/mol×K	273.00	Calculated Property
Cp,gas	480.30	J/mol×K	353.78	Calculated Property
Cp,gas	546.76	J/mol×K	434.56	Calculated Property
Cp,gas	604.53	J/mol×K	515.33	Calculated Property
Cp,gas	654.18	J/mol×K	596.11	Calculated Property
Cp,gas	696.24	J/mol×K	676.89	Calculated Property
Cp,gas	731.28	J/mol×K	757.67	Calculated Property
Cp,gas	759.83	J/mol×K	838.44	Calculated Property
Cp,gas	782.47	J/mol×K	919.22	Calculated Property
Cp,gas	799.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002074; 0.0000251]	Pa×s	[567.87; 808.96]	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			-1.55686e+01
Coefficient B			4.02493e+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.			567.87
Temperature range, max.			808.96
η	0.0002074	Pa×s	567.87	Calculated Property
η	0.0001507	Pa×s	594.66	Calculated Property
η	0.0001126	Pa×s	621.45	Calculated Property
η	0.0000861	Pa×s	648.23	Calculated Property
η	0.0000673	Pa×s	675.02	Calculated Property
η	0.0000536	Pa×s	701.81	Calculated Property
η	0.0000434	Pa×s	728.60	Calculated Property
η	0.0000357	Pa×s	755.39	Calculated Property
η	0.0000297	Pa×s	782.18	Calculated Property
η	0.0000251	Pa×s	808.96	Calculated Property

Similar Compounds

Find more compounds similar to 3-(4-Chloro-2-methyl phenoxy)-1,2-propanediol-bis-(2,2-dichloropropionate).

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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