Chemical Properties of Clorophene (CAS 120-32-1)

InChI

InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

InChI Key

NCKMMSIFQUPKCK-UHFFFAOYSA-N

Formula

C13H11ClO

SMILES

Oc1ccc(Cl)cc1Cc1ccccc1

Molecular Weight¹

218.68

CAS

120-32-1

Other Names

• Phenol, 4-chloro-2-(phenylmethyl)-
• o-Cresol, 4-chloro-«alpha»-phenyl-
• o-Benzyl-p-chlorophenol
• p-Chloro-o-benzylphenol
• Bio-Clave
• Chlorophene
• Clorofene
• Ketolin H
• Neosabenyl
• Santophen
• Santophen 1
• Septiphene
• 2-Benzyl-4-chlorophenol
• 4-Chloro-«alpha»-phenyl-o-cresol
• 4-Chloro-2-benzylphenol
• 5-Chloro-2-hydroxydiphenylmethane
• Benzylchlorophenol
• Santophen I germicide
• NCI-C61201
• Orthobenzyl-p-chlorophenol
• Orthobenzylparachlorophenol
• Santophen 1 flake
• Santophen 1 solution
• Santophen I
• Clorophen
• 2-Hydroxy-5-chlorodiphenylmethane
• Preventol BP
• Nipacide BCP
• NSC-59989
• Sentiphene
• Phenol, 4-chloro-2-benzyl-

• 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.
• 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°	107.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.11	kJ/mol	Joback Calculated Property
ΔfusH°	27.10	kJ/mol	Joback Calculated Property
ΔvapH°	67.14	kJ/mol	Joback Calculated Property
log10WS	-3.81		Crippen Calculated Property
logPoct/wat	3.636		Crippen Calculated Property
McVol	164.620	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Inp	[1852.80; 1852.80]
Inp	1852.80		NIST
Inp	1852.80		NIST
Tboil	673.23	K	Joback Calculated Property
Tc	931.18	K	Joback Calculated Property
Tfus	443.27	K	Joback Calculated Property
Vc	0.562	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.93; 466.17]	J/mol×K	[673.23; 931.18]
Cp,gas	399.93	J/mol×K	673.23	Joback Calculated Property
Cp,gas	413.11	J/mol×K	716.22	Joback Calculated Property
Cp,gas	425.24	J/mol×K	759.21	Joback Calculated Property
Cp,gas	436.46	J/mol×K	802.20	Joback Calculated Property
Cp,gas	446.93	J/mol×K	845.20	Joback Calculated Property
Cp,gas	456.78	J/mol×K	888.19	Joback Calculated Property
Cp,gas	466.17	J/mol×K	931.18	Joback Calculated Property
η	[0.0000200; 0.0005223]	Pa×s	[443.27; 673.23]
η	0.0005223	Pa×s	443.27	Joback Calculated Property
η	0.0002442	Pa×s	481.60	Joback Calculated Property
η	0.0001277	Pa×s	519.92	Joback Calculated Property
η	0.0000730	Pa×s	558.25	Joback Calculated Property
η	0.0000449	Pa×s	596.58	Joback Calculated Property
η	0.0000292	Pa×s	634.90	Joback Calculated Property
η	0.0000200	Pa×s	673.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Clorophene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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