Chemical Properties of Dichlorophen, O-(isobutyryl)-

InChI

InChI=1S/C17H16Cl2O3/c1-10(2)17(21)22-16-6-4-14(19)9-12(16)7-11-8-13(18)3-5-15(11)20/h3-6,8-10,20H,7H2,1-2H3

InChI Key

XTXMWYHFJPFXIN-UHFFFAOYSA-N

Formula

C17H16Cl2O3

SMILES

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

Molecular Weight¹

339.21

• 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

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	[318.97; 697.81]	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			3.11100e+00
Coefficient B			1.40184e+00
Coefficient C			-9.68040e-04
Coefficient D			2.60900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.97	J/mol×K	273.00	Calculated Property
Cp,gas	389.44	J/mol×K	353.78	Calculated Property
Cp,gas	450.89	J/mol×K	434.56	Calculated Property
Cp,gas	504.15	J/mol×K	515.33	Calculated Property
Cp,gas	550.04	J/mol×K	596.11	Calculated Property
Cp,gas	589.38	J/mol×K	676.89	Calculated Property
Cp,gas	623.00	J/mol×K	757.67	Calculated Property
Cp,gas	651.73	J/mol×K	838.44	Calculated Property
Cp,gas	676.39	J/mol×K	919.22	Calculated Property
Cp,gas	697.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000731; 0.0000066]	Pa×s	[570.64; 780.51]	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			-1.84734e+01
Coefficient B			5.10718e+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.			570.64
Temperature range, max.			780.51
η	0.0000731	Pa×s	570.64	Calculated Property
η	0.0000515	Pa×s	593.96	Calculated Property
η	0.0000372	Pa×s	617.28	Calculated Property
η	0.0000275	Pa×s	640.60	Calculated Property
η	0.0000208	Pa×s	663.92	Calculated Property
η	0.0000160	Pa×s	687.24	Calculated Property
η	0.0000126	Pa×s	710.56	Calculated Property
η	0.0000100	Pa×s	733.87	Calculated Property
η	0.0000081	Pa×s	757.19	Calculated Property
η	0.0000066	Pa×s	780.51	Calculated Property

Similar Compounds

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

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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