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-

• ω : Acentric Factor.
• 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).
• 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
ω	0.5793		Relay (1.0) Calculated Property
ΔfH°gas	-7.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.10	kJ/mol	Joback Calculated Property
ΔvapH°	90.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) 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	598.28	K	Relay (1.0) Calculated Property
Tc	868.41	K	Relay (1.0) Calculated Property
Tfus	351.81	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.99; 466.23]	J/mol×K	[673.43; 931.46]
Cp,gas	399.99	J/mol×K	673.43	Joback Calculated Property
Cp,gas	413.18	J/mol×K	716.43	Joback Calculated Property
Cp,gas	425.30	J/mol×K	759.44	Joback Calculated Property
Cp,gas	436.52	J/mol×K	802.44	Joback Calculated Property
Cp,gas	446.99	J/mol×K	845.45	Joback Calculated Property
Cp,gas	456.84	J/mol×K	888.45	Joback Calculated Property
Cp,gas	466.23	J/mol×K	931.46	Joback Calculated Property
η	[0.0000200; 0.0005223]	Pa×s	[443.27; 673.43]
η	0.0005223	Pa×s	443.27	Joback Calculated Property
η	0.0002441	Pa×s	481.63	Joback Calculated Property
η	0.0001276	Pa×s	519.99	Joback Calculated Property
η	0.0000729	Pa×s	558.35	Joback Calculated Property
η	0.0000448	Pa×s	596.71	Joback Calculated Property
η	0.0000292	Pa×s	635.07	Joback Calculated Property
η	0.0000200	Pa×s	673.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Clorophene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.
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