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

446.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-93.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-424.10	kJ/mol	Joback Calculated Property
ΔfusH°	54.13	kJ/mol	Joback Calculated Property
ΔvapH°	101.80	kJ/mol	Joback Calculated Property
log10WS	-6.91		Crippen Calculated Property
logPoct/wat	6.151		Crippen Calculated Property
McVol	286.340	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[3557.00; 3557.00]
Inp	3557.00		NIST
Inp	3557.00		NIST
Tboil	1000.35	K	Joback Calculated Property
Tc	1247.06	K	Joback Calculated Property
Tfus	697.81	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.04; 878.61]	J/mol×K	[1000.35; 1247.06]
Cp,gas	809.04	J/mol×K	1000.35	Joback Calculated Property
Cp,gas	821.33	J/mol×K	1041.47	Joback Calculated Property
Cp,gas	833.17	J/mol×K	1082.59	Joback Calculated Property
Cp,gas	844.68	J/mol×K	1123.71	Joback Calculated Property
Cp,gas	856.01	J/mol×K	1164.82	Joback Calculated Property
Cp,gas	867.28	J/mol×K	1205.94	Joback Calculated Property
Cp,gas	878.61	J/mol×K	1247.06	Joback Calculated Property
η	[0.0000018; 0.0000196]	Pa×s	[697.81; 1000.35]
η	0.0000196	Pa×s	697.81	Joback Calculated Property
η	0.0000115	Pa×s	748.23	Joback Calculated Property
η	0.0000072	Pa×s	798.66	Joback Calculated Property
η	0.0000048	Pa×s	849.08	Joback Calculated Property
η	0.0000033	Pa×s	899.50	Joback Calculated Property
η	0.0000024	Pa×s	949.93	Joback Calculated Property
η	0.0000018	Pa×s	1000.35	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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