Chemical Properties of 1-(2,4,5-trichlorophenyl)-2-chloro-ethanol-1

InChI

InChI=1S/C8H6Cl4O/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2,8,13H,3H2

InChI Key

JQMCNRIUQZHIPP-UHFFFAOYSA-N

Formula

C8H6Cl4O

SMILES

OC(CCl)c1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

259.95

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-254.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.70	kJ/mol	Joback Calculated Property
ΔvapH°	93.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	3.919		Crippen Calculated Property
McVol	154.650	ml/mol	McGowan Calculated Property
Inp	[1711.00; 1732.00]
Inp	1711.00		NIST
Inp	1723.00		NIST
Inp	1732.00		NIST
Inp	1730.00		NIST
Tboil	562.90	K	Relay (1.0) Calculated Property
Tfus	368.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.13; 343.75]	J/mol×K	[665.72; 887.04]
Cp,gas	307.13	J/mol×K	665.72	Joback Calculated Property
Cp,gas	314.43	J/mol×K	702.61	Joback Calculated Property
Cp,gas	321.22	J/mol×K	739.49	Joback Calculated Property
Cp,gas	327.52	J/mol×K	776.38	Joback Calculated Property
Cp,gas	333.37	J/mol×K	813.26	Joback Calculated Property
Cp,gas	338.77	J/mol×K	850.15	Joback Calculated Property
Cp,gas	343.75	J/mol×K	887.04	Joback Calculated Property
η	[0.0000653; 0.0015777]	Pa×s	[409.40; 665.72]
η	0.0015777	Pa×s	409.40	Joback Calculated Property
η	0.0007222	Pa×s	452.12	Joback Calculated Property
η	0.0003783	Pa×s	494.84	Joback Calculated Property
η	0.0002196	Pa×s	537.56	Joback Calculated Property
η	0.0001381	Pa×s	580.28	Joback Calculated Property
η	0.0000926	Pa×s	623.00	Joback Calculated Property
η	0.0000653	Pa×s	665.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,4,5-trichlorophenyl)-2-chloro-ethanol-1.

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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