Chemical Properties of Dichlorophen, O,O'-di(cyclopropanecarbonyl)-

InChI

InChI=1S/C21H18Cl2O4/c22-16-5-7-18(26-20(24)12-1-2-12)14(10-16)9-15-11-17(23)6-8-19(15)27-21(25)13-3-4-13/h5-8,10-13H,1-4,9H2

InChI Key

XYIMISYZCZHNOC-UHFFFAOYSA-N

Formula

C21H18Cl2O4

SMILES

O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(=O)C1CC1)C1CC1

Molecular Weight¹

405.27

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8883		Relay (... Calculated Property
ΔfG°	-57.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-583.54	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.91	kJ/mol	Joback Calculated Property
ΔvapH°	123.88	kJ/mol	Relay (... Calculated Property
IE	8.59	eV	Relay (... Calculated Property
log10WS	-6.19		Relay (... Calculated Property
logPoct/wat	5.215		Crippen Calculated Property
McVol	276.870	ml/mol	McGowan Calculated Property
Pc	1804.63	kPa	Joback Calculated Property
Inp	[2920.00; 2920.00]
Inp	2920.00		NIST
Inp	2920.00		NIST
Tboil	695.64	K	Relay (... Calculated Property
Tc	998.29	K	Relay (... Calculated Property
Tfus	372.67	K	Relay (... Calculated Property
Vc	1.050	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.77; 905.09]	J/mol×K	[994.08; 1244.22]
Cp,gas	842.77	J/mol×K	994.08	Joback Calculated Property
Cp,gas	855.08	J/mol×K	1035.77	Joback Calculated Property
Cp,gas	866.46	J/mol×K	1077.46	Joback Calculated Property
Cp,gas	877.02	J/mol×K	1119.15	Joback Calculated Property
Cp,gas	886.90	J/mol×K	1160.84	Joback Calculated Property
Cp,gas	896.22	J/mol×K	1202.53	Joback Calculated Property
Cp,gas	905.09	J/mol×K	1244.22	Joback Calculated Property
η	[0.0004455; 0.0013016]	Pa×s	[669.39; 994.08]
η	0.0013016	Pa×s	669.39	Joback Calculated Property
η	0.0010183	Pa×s	723.50	Joback Calculated Property
η	0.0008243	Pa×s	777.62	Joback Calculated Property
η	0.0006859	Pa×s	831.73	Joback Calculated Property
η	0.0005837	Pa×s	885.85	Joback Calculated Property
η	0.0005060	Pa×s	939.96	Joback Calculated Property
η	0.0004455	Pa×s	994.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dichlorophen, O,O'-di(cyclopropanecarbonyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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