Chemical Properties of Dichlorphen, O,O'-dimethacryloyl-

InChI

InChI=1S/C21H18Cl2O4/c1-12(2)20(24)26-18-7-5-16(22)10-14(18)9-15-11-17(23)6-8-19(15)27-21(25)13(3)4/h5-8,10-11H,1,3,9H2,2,4H3

InChI Key

NWSQOAONRANLNH-UHFFFAOYSA-N

Formula

C21H18Cl2O4

SMILES

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

Molecular Weight¹

405.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.62	kJ/mol	Joback Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	5.547		Crippen Calculated Property
McVol	289.990	ml/mol	McGowan Calculated Property
Inp	[2655.00; 2655.00]
Inp	2655.00		NIST
Inp	2655.00		NIST
Tboil	679.13	K	Relay (1.0) Calculated Property
Tfus	352.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[386.83; 828.72]	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			4.44210e+01
Coefficient B			1.46684e+00
Coefficient C			-8.14840e-04
Coefficient D			1.32300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.83	J/mol×K	273.00	Calculated Property
Cp,gas	467.23	J/mol×K	353.78	Calculated Property
Cp,gas	538.83	J/mol×K	434.56	Calculated Property
Cp,gas	602.04	J/mol×K	515.33	Calculated Property
Cp,gas	657.29	J/mol×K	596.11	Calculated Property
Cp,gas	705.00	J/mol×K	676.89	Calculated Property
Cp,gas	745.57	J/mol×K	757.67	Calculated Property
Cp,gas	779.44	J/mol×K	838.44	Calculated Property
Cp,gas	807.02	J/mol×K	919.22	Calculated Property
Cp,gas	828.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dichlorphen, O,O'-dimethacryloyl-.

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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