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

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

• 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	321.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.59; 480.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.84690e+01
Coefficient B			1.18290e+00
Coefficient C			-9.55520e-04
Coefficient D			3.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.59	J/mol×K	273.00	Calculated Property
Cp,gas	254.22	J/mol×K	353.78	Calculated Property
Cp,gas	300.71	J/mol×K	434.56	Calculated Property
Cp,gas	340.02	J/mol×K	515.33	Calculated Property
Cp,gas	373.15	J/mol×K	596.11	Calculated Property
Cp,gas	401.09	J/mol×K	676.89	Calculated Property
Cp,gas	424.82	J/mol×K	757.67	Calculated Property
Cp,gas	445.33	J/mol×K	838.44	Calculated Property
Cp,gas	463.60	J/mol×K	919.22	Calculated Property
Cp,gas	480.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0195430; 0.0000245]	Pa×s	[321.40; 652.02]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.71094e+01
Coefficient B			4.23420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			321.40
Temperature range, max.			652.02
η	0.0195430	Pa×s	321.40	Calculated Property
η	0.0050596	Pa×s	358.14	Calculated Property
η	0.0016843	Pa×s	394.87	Calculated Property
η	0.0006762	Pa×s	431.61	Calculated Property
η	0.0003132	Pa×s	468.34	Calculated Property
η	0.0001623	Pa×s	505.08	Calculated Property
η	0.0000919	Pa×s	541.81	Calculated Property
η	0.0000560	Pa×s	578.55	Calculated Property
η	0.0000362	Pa×s	615.28	Calculated Property
η	0.0000245	Pa×s	652.02	Calculated Property

Similar Compounds

Find more compounds similar to Clorophene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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