Chemical Properties of 1,2,4-Trichloro-5-[(2-ethylhexyl)oxy]benzene

InChI

InChI=1S/C14H19Cl3O/c1-3-5-6-10(4-2)9-18-14-8-12(16)11(15)7-13(14)17/h7-8,10H,3-6,9H2,1-2H3

InChI Key

RARCMPNWEIHMRC-UHFFFAOYSA-N

Formula

C14H19Cl3O

SMILES

CCCCC(CC)COc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

309.66

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[308.17; 657.80]	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			6.16450e+01
Coefficient B			1.03954e+00
Coefficient C			-5.21280e-04
Coefficient D			7.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.17	J/mol×K	273.00	Calculated Property
Cp,gas	367.62	J/mol×K	353.78	Calculated Property
Cp,gas	421.34	J/mol×K	434.56	Calculated Property
Cp,gas	469.58	J/mol×K	515.33	Calculated Property
Cp,gas	512.59	J/mol×K	596.11	Calculated Property
Cp,gas	550.62	J/mol×K	676.89	Calculated Property
Cp,gas	583.91	J/mol×K	757.67	Calculated Property
Cp,gas	612.70	J/mol×K	838.44	Calculated Property
Cp,gas	637.25	J/mol×K	919.22	Calculated Property
Cp,gas	657.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009542; 0.0001424]	Pa×s	[408.51; 634.41]	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			-1.22965e+01
Coefficient B			2.18219e+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.			408.51
Temperature range, max.			634.41
η	0.0009542	Pa×s	408.51	Calculated Property
η	0.0007004	Pa×s	433.61	Calculated Property
η	0.0005318	Pa×s	458.71	Calculated Property
η	0.0004155	Pa×s	483.81	Calculated Property
η	0.0003326	Pa×s	508.91	Calculated Property
η	0.0002719	Pa×s	534.01	Calculated Property
η	0.0002263	Pa×s	559.11	Calculated Property
η	0.0001914	Pa×s	584.21	Calculated Property
η	0.0001641	Pa×s	609.31	Calculated Property
η	0.0001424	Pa×s	634.41	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trichloro-5-[(2-ethylhexyl)oxy]benzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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