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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8916		Relay (1.0) Calculated Property
ΔfG°	-20.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-491.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.46	kJ/mol	Joback Calculated Property
ΔvapH°	116.03	kJ/mol	Relay (1.0) 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
Pc	1574.70	kPa	Joback Calculated Property
Inp	[2655.00; 2655.00]
Inp	2655.00		NIST
Inp	2655.00		NIST
Tboil	679.13	K	Relay (1.0) Calculated Property
Tc	943.94	K	Relay (1.0) Calculated Property
Tfus	356.67	K	Relay (1.0) Calculated Property
Vc	1.027	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[820.41; 866.93]	J/mol×K	[973.72; 1214.90]
Cp,gas	820.41	J/mol×K	973.72	Joback Calculated Property
Cp,gas	831.10	J/mol×K	1013.92	Joback Calculated Property
Cp,gas	840.56	J/mol×K	1054.11	Joback Calculated Property
Cp,gas	848.82	J/mol×K	1094.31	Joback Calculated Property
Cp,gas	855.94	J/mol×K	1134.51	Joback Calculated Property
Cp,gas	861.96	J/mol×K	1174.71	Joback Calculated Property
Cp,gas	866.93	J/mol×K	1214.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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