Chemical Properties of Phenol, 2,3,4-trichloro- (CAS 15950-66-0)

InChI

InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H

InChI Key

HSQFVBWFPBKHEB-UHFFFAOYSA-N

Formula

C6H3Cl3O

SMILES

Oc1ccc(Cl)c(Cl)c1Cl

Molecular Weight¹

197.45

CAS

15950-66-0

Other Names

• 2,3,4-Trichlorophenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-97.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-178.11	kJ/mol	Joback Calculated Property
ΔfusH°	22.93	kJ/mol	Joback Calculated Property
ΔvapH°	58.72	kJ/mol	Joback Calculated Property
log10WS	[-2.67; -2.67]
log10WS	-2.67		Aq. Sol...
log10WS	-2.67		Estimat...
logPoct/wat	3.352		Crippen Calculated Property
McVol	114.230	ml/mol	McGowan Calculated Property
Pc	4723.61	kPa	Joback Calculated Property
Inp	[1340.00; 1408.00]
Inp	1363.00		NIST
Inp	1345.00		NIST
Inp	1363.00		NIST
Inp	1380.00		NIST
Inp	1364.00		NIST
Inp	1340.00		NIST
Inp	1354.00		NIST
Inp	1405.00		NIST
Inp	1408.00		NIST
I	[2424.00; 2476.00]
I	2453.00		NIST
I	2453.00		NIST
I	2460.00		NIST
I	2476.00		NIST
I	2458.00		NIST
I	Outlier 2424.00		NIST
I	2447.00		NIST
I	2453.00		NIST
Tboil	566.23	K	Joback Calculated Property
Tc	818.35	K	Joback Calculated Property
Tfus	356.65	K	Aq. Sol...
Vc	0.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.55; 233.71]	J/mol×K	[566.23; 818.35]
Cp,gas	203.55	J/mol×K	566.23	Joback Calculated Property
Cp,gas	209.69	J/mol×K	608.25	Joback Calculated Property
Cp,gas	215.28	J/mol×K	650.27	Joback Calculated Property
Cp,gas	220.38	J/mol×K	692.29	Joback Calculated Property
Cp,gas	225.09	J/mol×K	734.31	Joback Calculated Property
Cp,gas	229.51	J/mol×K	776.33	Joback Calculated Property
Cp,gas	233.71	J/mol×K	818.35	Joback Calculated Property
η	[0.0000638; 0.0008360]	Pa×s	[410.32; 566.23]
η	0.0008360	Pa×s	410.32	Joback Calculated Property
η	0.0004792	Pa×s	436.31	Joback Calculated Property
η	0.0002925	Pa×s	462.29	Joback Calculated Property
η	0.0001881	Pa×s	488.28	Joback Calculated Property
η	0.0001265	Pa×s	514.26	Joback Calculated Property
η	0.0000884	Pa×s	540.25	Joback Calculated Property
η	0.0000638	Pa×s	566.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,3,4-trichloro-.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.