Chemical Properties of Dichlorophen, O-(6-bromohexanoyl)-

InChI

InChI=1S/C19H19BrCl2O3/c20-9-3-1-2-4-19(24)25-18-8-6-16(22)12-14(18)10-13-11-15(21)5-7-17(13)23/h5-8,11-12,23H,1-4,9-10H2

InChI Key

DIHIWNGGTNTBLI-UHFFFAOYSA-N

Formula

C19H19BrCl2O3

SMILES

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

Molecular Weight¹

446.17

• 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°	55.71	kJ/mol	Joback Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	6.151		Crippen Calculated Property
McVol	286.340	ml/mol	McGowan Calculated Property
Inp	[3557.00; 3557.00]
Inp	3557.00		NIST
Inp	3557.00		NIST
Tfus	365.87	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	[375.70; 809.53]	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			1.11660e+01
Coefficient B			1.62410e+00
Coefficient C			-1.14504e-03
Coefficient D			3.19300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.70	J/mol×K	273.00	Calculated Property
Cp,gas	456.56	J/mol×K	353.78	Calculated Property
Cp,gas	526.90	J/mol×K	434.56	Calculated Property
Cp,gas	587.73	J/mol×K	515.33	Calculated Property
Cp,gas	640.06	J/mol×K	596.11	Calculated Property
Cp,gas	684.89	J/mol×K	676.89	Calculated Property
Cp,gas	723.25	J/mol×K	757.67	Calculated Property
Cp,gas	756.13	J/mol×K	838.44	Calculated Property
Cp,gas	784.56	J/mol×K	919.22	Calculated Property
Cp,gas	809.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000229; 0.0000036]	Pa×s	[667.98; 859.13]	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			-1.89813e+01
Coefficient B			5.54246e+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.			667.98
Temperature range, max.			859.13
η	0.0000229	Pa×s	667.98	Calculated Property
η	0.0000177	Pa×s	689.22	Calculated Property
η	0.0000139	Pa×s	710.46	Calculated Property
η	0.0000111	Pa×s	731.70	Calculated Property
η	0.0000090	Pa×s	752.94	Calculated Property
η	0.0000073	Pa×s	774.18	Calculated Property
η	0.0000061	Pa×s	795.42	Calculated Property
η	0.0000051	Pa×s	816.66	Calculated Property
η	0.0000043	Pa×s	837.89	Calculated Property
η	0.0000036	Pa×s	859.13	Calculated Property

Similar Compounds

Find more compounds similar to Dichlorophen, O-(6-bromohexanoyl)-.

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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