Chemical Properties of Dichlorophen, O-(cyclohexanecarbonyl)-

InChI

InChI=1S/C20H20Cl2O3/c21-16-6-8-18(23)14(11-16)10-15-12-17(22)7-9-19(15)25-20(24)13-4-2-1-3-5-13/h6-9,11-13,23H,1-5,10H2

InChI Key

XSNXZTZPLIYJMO-UHFFFAOYSA-N

Formula

C20H20Cl2O3

SMILES

O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O)C1CCCCC1

Molecular Weight¹

379.28

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.85	kJ/mol	Joback Calculated Property
log10WS	-5.83		Relay (1.0) Calculated Property
logPoct/wat	5.776		Crippen Calculated Property
McVol	272.070	ml/mol	McGowan Calculated Property
Inp	[3090.00; 3090.00]
Inp	3090.00		NIST
Inp	3090.00		NIST
Tfus	376.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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	[344.81; 837.12]	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			-6.35390e+01
Coefficient B			1.80300e+00
Coefficient C			-1.20904e-03
Coefficient D			3.06700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.81	J/mol×K	273.00	Calculated Property
Cp,gas	436.58	J/mol×K	353.78	Calculated Property
Cp,gas	516.82	J/mol×K	434.56	Calculated Property
Cp,gas	586.50	J/mol×K	515.33	Calculated Property
Cp,gas	646.59	J/mol×K	596.11	Calculated Property
Cp,gas	698.05	J/mol×K	676.89	Calculated Property
Cp,gas	741.87	J/mol×K	757.67	Calculated Property
Cp,gas	779.01	J/mol×K	838.44	Calculated Property
Cp,gas	810.44	J/mol×K	919.22	Calculated Property
Cp,gas	837.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000405; 0.0000040]	Pa×s	[626.83; 853.01]	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			-1.88497e+01
Coefficient B			5.47611e+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.			626.83
Temperature range, max.			853.01
η	0.0000405	Pa×s	626.83	Calculated Property
η	0.0000289	Pa×s	651.96	Calculated Property
η	0.0000212	Pa×s	677.09	Calculated Property
η	0.0000159	Pa×s	702.22	Calculated Property
η	0.0000121	Pa×s	727.35	Calculated Property
η	0.0000094	Pa×s	752.49	Calculated Property
η	0.0000074	Pa×s	777.62	Calculated Property
η	0.0000060	Pa×s	802.75	Calculated Property
η	0.0000049	Pa×s	827.88	Calculated Property
η	0.0000040	Pa×s	853.01	Calculated Property

Similar Compounds

Find more compounds similar to Dichlorophen, O-(cyclohexanecarbonyl)-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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