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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.35; 869.97]	J/mol×K	[982.48; 1227.33]
Cp,gas	804.35	J/mol×K	982.48	Joback Calculated Property
Cp,gas	816.23	J/mol×K	1023.29	Joback Calculated Property
Cp,gas	827.55	J/mol×K	1064.10	Joback Calculated Property
Cp,gas	838.46	J/mol×K	1104.91	Joback Calculated Property
Cp,gas	849.08	J/mol×K	1145.72	Joback Calculated Property
Cp,gas	859.54	J/mol×K	1186.53	Joback Calculated Property
Cp,gas	869.97	J/mol×K	1227.33	Joback Calculated Property
η	[0.0000016; 0.0000229]	Pa×s	[667.98; 982.48]
η	0.0000229	Pa×s	667.98	Joback Calculated Property
η	0.0000125	Pa×s	720.40	Joback Calculated Property
η	0.0000074	Pa×s	772.81	Joback Calculated Property
η	0.0000047	Pa×s	825.23	Joback Calculated Property
η	0.0000032	Pa×s	877.65	Joback Calculated Property
η	0.0000022	Pa×s	930.06	Joback Calculated Property
η	0.0000016	Pa×s	982.48	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.