Chemical Properties of Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C16H7Cl5O4/c17-8-1-2-13(10(19)5-8)24-14(22)3-4-15(23)25-16-11(20)6-9(18)7-12(16)21/h1-7H/b4-3+

InChI Key

LMDUOJOQINADIB-ONEGZZNKSA-N

Formula

C16H7Cl5O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

440.49

• 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	0.8533		Relay (... Calculated Property
ΔfG°	-186.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-526.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	50.09	kJ/mol	Joback Calculated Property
ΔvapH°	121.84	kJ/mol	Relay (... Calculated Property
IE	8.88	eV	Relay (... Calculated Property
log10WS	-7.65		Relay (... Calculated Property
logPoct/wat	6.021		Crippen Calculated Property
McVol	260.560	ml/mol	McGowan Calculated Property
Pc	2051.17	kPa	Joback Calculated Property
Inp	[2974.00; 2974.00]
Inp	2974.00		NIST
Inp	2974.00		NIST
Tboil	628.17	K	Relay (... Calculated Property
Tc	977.98	K	Relay (... Calculated Property
Tfus	368.68	K	Relay (... Calculated Property
Vc	0.901	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.43; 639.02]	J/mol×K	[987.63; 1245.05]
Cp,gas	616.43	J/mol×K	987.63	Joback Calculated Property
Cp,gas	622.68	J/mol×K	1030.53	Joback Calculated Property
Cp,gas	627.90	J/mol×K	1073.44	Joback Calculated Property
Cp,gas	632.10	J/mol×K	1116.34	Joback Calculated Property
Cp,gas	635.34	J/mol×K	1159.24	Joback Calculated Property
Cp,gas	637.63	J/mol×K	1202.15	Joback Calculated Property
Cp,gas	639.02	J/mol×K	1245.05	Joback Calculated Property
η	[0.0000441; 0.0001984]	Pa×s	[674.36; 987.63]
η	0.0001984	Pa×s	674.36	Joback Calculated Property
η	0.0001411	Pa×s	726.57	Joback Calculated Property
η	0.0001051	Pa×s	778.78	Joback Calculated Property
η	0.0000812	Pa×s	831.00	Joback Calculated Property
η	0.0000647	Pa×s	883.21	Joback Calculated Property
η	0.0000528	Pa×s	935.42	Joback Calculated Property
η	0.0000441	Pa×s	987.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester.

Sources

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

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