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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5356		Relay (1.0) Calculated Property
ΔfG°	-97.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.93	kJ/mol	Joback Calculated Property
ΔvapH°	67.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	[-2.67; -2.67]
log10WS	-2.67		Aq. Solubility Prediction
log10WS	-2.67		Estimated Solubility
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	526.05	K	Relay (1.0) Calculated Property
Tc	830.00	K	Relay (1.0) Calculated Property
Tfus	356.65	K	Aq. Solubility Prediction
Vc	0.403	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.