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_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°	62.20	kJ/mol	Joback Calculated Property
log10WS	-7.12		Relay (1.0) Calculated Property
logPoct/wat	6.433		Crippen Calculated Property
McVol	323.070	ml/mol	McGowan Calculated Property
Inp	[3291.00; 3291.00]
Inp	3291.00		NIST
Inp	3291.00		NIST
Tfus	348.23	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	[907.45; 936.90]	J/mol×K	[1019.52; 1257.30]
Cp,gas	907.45	J/mol×K	1019.52	Joback Calculated Property
Cp,gas	915.75	J/mol×K	1059.15	Joback Calculated Property
Cp,gas	922.64	J/mol×K	1098.78	Joback Calculated Property
Cp,gas	928.15	J/mol×K	1138.41	Joback Calculated Property
Cp,gas	932.34	J/mol×K	1178.04	Joback Calculated Property
Cp,gas	935.24	J/mol×K	1217.67	Joback Calculated Property
Cp,gas	936.90	J/mol×K	1257.30	Joback Calculated Property
η	[0.0000202; 0.0001752]	Pa×s	[633.69; 1019.52]
η	0.0001752	Pa×s	633.69	Joback Calculated Property
η	0.0001036	Pa×s	698.00	Joback Calculated Property
η	0.0000669	Pa×s	762.30	Joback Calculated Property
η	0.0000463	Pa×s	826.61	Joback Calculated Property
η	0.0000338	Pa×s	890.91	Joback Calculated Property
η	0.0000257	Pa×s	955.22	Joback Calculated Property
η	0.0000202	Pa×s	1019.52	Joback Calculated Property

Similar Compounds

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

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.
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