Chemical Properties of Dichlorophen, O-(cyclopropanecarbonyl)-

InChI

InChI=1S/C17H14Cl2O3/c18-13-3-5-15(20)11(8-13)7-12-9-14(19)4-6-16(12)22-17(21)10-1-2-10/h3-6,8-10,20H,1-2,7H2

InChI Key

GODVCNFGPHZUFN-UHFFFAOYSA-N

Formula

C17H14Cl2O3

SMILES

O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O)C1CC1

Molecular Weight¹

337.20

• 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°	43.38	kJ/mol	Joback Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.605		Crippen Calculated Property
McVol	229.800	ml/mol	McGowan Calculated Property
Inp	[2737.00; 2737.00]
Inp	2737.00		NIST
Inp	2737.00		NIST
Tfus	366.71	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[295.85; 677.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.54490e+01
Coefficient B			1.54680e+00
Coefficient C			-1.18504e-03
Coefficient D			3.60700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.85	J/mol×K	273.00	Calculated Property
Cp,gas	369.43	J/mol×K	353.78	Calculated Property
Cp,gas	432.54	J/mol×K	434.56	Calculated Property
Cp,gas	486.32	J/mol×K	515.33	Calculated Property
Cp,gas	531.92	J/mol×K	596.11	Calculated Property
Cp,gas	570.47	J/mol×K	676.89	Calculated Property
Cp,gas	603.11	J/mol×K	757.67	Calculated Property
Cp,gas	630.99	J/mol×K	838.44	Calculated Property
Cp,gas	655.24	J/mol×K	919.22	Calculated Property
Cp,gas	677.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001199; 0.0000199]	Pa×s	[603.58; 791.91]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.65733e+01
Coefficient B			4.55352e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			603.58
Temperature range, max.			791.91
η	0.0001199	Pa×s	603.58	Calculated Property
η	0.0000931	Pa×s	624.51	Calculated Property
η	0.0000735	Pa×s	645.43	Calculated Property
η	0.0000589	Pa×s	666.36	Calculated Property
η	0.0000478	Pa×s	687.28	Calculated Property
η	0.0000393	Pa×s	708.21	Calculated Property
η	0.0000327	Pa×s	729.14	Calculated Property
η	0.0000275	Pa×s	750.06	Calculated Property
η	0.0000233	Pa×s	770.99	Calculated Property
η	0.0000199	Pa×s	791.91	Calculated Property

Similar Compounds

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

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

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