Chemical Properties of Dichlorphen, O,O'-(4-chlorobutyryl)-

InChI

InChI=1S/C21H20Cl4O4/c22-9-1-3-20(26)28-18-7-5-16(24)12-14(18)11-15-13-17(25)6-8-19(15)29-21(27)4-2-10-23/h5-8,12-13H,1-4,9-11H2

InChI Key

MCVRVTRTTXRFTM-UHFFFAOYSA-N

Formula

C21H20Cl4O4

SMILES

O=C(CCCCl)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(=O)CCCCl

Molecular Weight¹

478.19

Other Names

• Dichlorphen, O,O'-(4-chlorobutyl)-

• 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°	-203.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.15	kJ/mol	Joback Calculated Property
ΔfusH°	59.03	kJ/mol	Joback Calculated Property
ΔvapH°	105.39	kJ/mol	Joback Calculated Property
log10WS	-7.55		Crippen Calculated Property
logPoct/wat	6.433		Crippen Calculated Property
McVol	323.070	ml/mol	McGowan Calculated Property
Pc	1384.02	kPa	Joback Calculated Property
Inp	[3291.00; 3291.00]
Inp	3291.00		NIST
Inp	3291.00		NIST
Tboil	1055.46	K	Joback Calculated Property
Tc	1298.61	K	Joback Calculated Property
Tfus	693.35	K	Joback Calculated Property
Vc	1.240	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[915.45; 946.57]	J/mol×K	[1055.46; 1298.61]
Cp,gas	915.45	J/mol×K	1055.46	Joback Calculated Property
Cp,gas	923.88	J/mol×K	1095.99	Joback Calculated Property
Cp,gas	930.97	J/mol×K	1136.51	Joback Calculated Property
Cp,gas	936.74	J/mol×K	1177.04	Joback Calculated Property
Cp,gas	941.23	J/mol×K	1217.56	Joback Calculated Property
Cp,gas	944.50	J/mol×K	1258.09	Joback Calculated Property
Cp,gas	946.57	J/mol×K	1298.61	Joback Calculated Property
η	[0.0000273; 0.0001597]	Pa×s	[693.35; 1055.46]
η	0.0001597	Pa×s	693.35	Joback Calculated Property
η	0.0001057	Pa×s	753.70	Joback Calculated Property
η	0.0000744	Pa×s	814.05	Joback Calculated Property
η	0.0000550	Pa×s	874.40	Joback Calculated Property
η	0.0000422	Pa×s	934.76	Joback Calculated Property
η	0.0000335	Pa×s	995.11	Joback Calculated Property
η	0.0000273	Pa×s	1055.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dichlorphen, O,O'-(4-chlorobutyryl)-.

Sources

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

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