Chemical Properties of Phenol, 2,3,5-trichloro- (CAS 933-78-8)

InChI

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

InChI Key

WWGQHTJIFOQAOC-UHFFFAOYSA-N

Formula

C6H3Cl3O

SMILES

Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

197.45

CAS

933-78-8

Other Names

• 2,3,5-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	[1313.00; 1367.00]
Inp	1327.00		NIST
Inp	1317.00		NIST
Inp	1327.00		NIST
Inp	1347.00		NIST
Inp	1334.00		NIST
Inp	1313.00		NIST
Inp	1323.00		NIST
Inp	1351.30		NIST
Inp	1367.00		NIST
Inp	1367.00		NIST
Inp	1362.00		NIST
Inp	1367.00		NIST
Inp	1327.00		NIST
Inp	1334.00		NIST
I	[2368.00; 2410.00]
I	2403.00		NIST
I	2403.00		NIST
I	2403.00		NIST
I	2410.00		NIST
I	2399.00		NIST
I	Outlier 2368.00		NIST
I	2389.00		NIST
Tboil	521.70	K	NIST
Tc	818.35	K	Joback Calculated Property
Tfus	410.32	K	Joback Calculated Property
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, 2,3,5-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.