Chemical Properties of 2-(2,4,5-Trichlorophenoxy)-1-propanol

InChI

InChI=1S/C9H9Cl3O2/c1-5(4-13)14-9-3-7(11)6(10)2-8(9)12/h2-3,5,13H,4H2,1H3

InChI Key

LYJSRGNYLMKMOP-UHFFFAOYSA-N

Formula

C9H9Cl3O2

SMILES

CC(CO)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

255.53

• 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	[214.61; 418.52]	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			7.14810e+01
Coefficient B			5.98520e-01
Coefficient C			-2.79680e-04
Coefficient D			2.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.61	J/mol×K	273.00	Calculated Property
Cp,gas	249.47	J/mol×K	353.78	Calculated Property
Cp,gas	281.07	J/mol×K	434.56	Calculated Property
Cp,gas	309.50	J/mol×K	515.33	Calculated Property
Cp,gas	334.86	J/mol×K	596.11	Calculated Property
Cp,gas	357.21	J/mol×K	676.89	Calculated Property
Cp,gas	376.67	J/mol×K	757.67	Calculated Property
Cp,gas	393.32	J/mol×K	838.44	Calculated Property
Cp,gas	407.24	J/mol×K	919.22	Calculated Property
Cp,gas	418.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012032; 0.0000751]	Pa×s	[412.98; 619.93]	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			-1.50307e+01
Coefficient B			3.43098e+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.			412.98
Temperature range, max.			619.93
η	0.0012032	Pa×s	412.98	Calculated Property
η	0.0007763	Pa×s	435.97	Calculated Property
η	0.0005233	Pa×s	458.97	Calculated Property
η	0.0003664	Pa×s	481.96	Calculated Property
η	0.0002649	Pa×s	504.96	Calculated Property
η	0.0001971	Pa×s	527.95	Calculated Property
η	0.0001502	Pa×s	550.95	Calculated Property
η	0.0001171	Pa×s	573.94	Calculated Property
η	0.0000930	Pa×s	596.94	Calculated Property
η	0.0000751	Pa×s	619.93	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,4,5-Trichlorophenoxy)-1-propanol.

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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