Chemical Properties of Proclonol (CAS 14088-71-2)

InChI

InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2

InChI Key

BKAYSPSVVJBHHK-UHFFFAOYSA-N

Formula

C16H14Cl2O

SMILES

OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C1CC1

Molecular Weight¹

293.19

CAS

14088-71-2

Other Names

• Benzenemethanol, 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-cyclopropyl-
• Methanol, bis(p-chlorophenyl)cyclopropyl-
• Bis(p-chlorophenyl)cyclopropylcarbinol
• Bis(p-chlorophenyl)cyclopropylmethanol
• CL 69049
• Di(p-chlorophenyl)cyclopropylmethanol
• Dupont DPX 3654
• DPX 3654
• R 8284
• Kilacar
• Proclono

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.70	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	208.270	ml/mol	McGowan Calculated Property
Inp	[2182.00; 2182.00]
Inp	2182.00		NIST
Inp	2182.00		NIST
Tboil	610.05	K	Relay (1.0) Calculated Property
Tfus	388.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.90; 618.07]	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			-9.45100e+01
Coefficient B			1.57130e+00
Coefficient C			-1.23812e-03
Coefficient D			3.79400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.90	J/mol×K	273.00	Calculated Property
Cp,gas	323.22	J/mol×K	353.78	Calculated Property
Cp,gas	385.64	J/mol×K	434.56	Calculated Property
Cp,gas	438.35	J/mol×K	515.33	Calculated Property
Cp,gas	482.56	J/mol×K	596.11	Calculated Property
Cp,gas	519.47	J/mol×K	676.89	Calculated Property
Cp,gas	550.28	J/mol×K	757.67	Calculated Property
Cp,gas	576.18	J/mol×K	838.44	Calculated Property
Cp,gas	598.38	J/mol×K	919.22	Calculated Property
Cp,gas	618.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009929; 0.0000888]	Pa×s	[488.98; 730.79]	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			-1.42122e+01
Coefficient B			3.56825e+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.			488.98
Temperature range, max.			730.79
η	0.0009929	Pa×s	488.98	Calculated Property
η	0.0006790	Pa×s	515.85	Calculated Property
η	0.0004821	Pa×s	542.71	Calculated Property
η	0.0003535	Pa×s	569.58	Calculated Property
η	0.0002666	Pa×s	596.45	Calculated Property
η	0.0002060	Pa×s	623.32	Calculated Property
η	0.0001626	Pa×s	650.18	Calculated Property
η	0.0001308	Pa×s	677.05	Calculated Property
η	0.0001070	Pa×s	703.92	Calculated Property
η	0.0000888	Pa×s	730.79	Calculated Property

Similar Compounds

Find more compounds similar to Proclonol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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