Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C17H9Cl3F4O4/c18-8-6-10(19)16(11(20)7-8)28-14(26)5-4-13(25)27-12-3-1-2-9(15(12)21)17(22,23)24/h1-3,6-7H,4-5H2

InChI Key

JWXAVHPGLLIHSR-UHFFFAOYSA-N

Formula

C17H9Cl3F4O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

459.60

• 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	0.8756		Relay (... Calculated Property
ΔfG°	-1011.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1379.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.99	kJ/mol	Joback Calculated Property
ΔvapH°	107.05	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-6.84		Relay (... Calculated Property
logPoct/wat	6.096		Crippen Calculated Property
McVol	261.550	ml/mol	McGowan Calculated Property
Pc	1675.53	kPa	Joback Calculated Property
Inp	[2578.00; 2578.00]
Inp	2578.00		NIST
Inp	2578.00		NIST
Tboil	628.50	K	Relay (... Calculated Property
Tc	903.05	K	Relay (... Calculated Property
Tfus	361.84	K	Relay (... Calculated Property
Vc	0.939	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.87; 732.62]	J/mol×K	[925.34; 1150.35]
Cp,gas	698.87	J/mol×K	925.34	Joback Calculated Property
Cp,gas	706.81	J/mol×K	962.84	Joback Calculated Property
Cp,gas	713.78	J/mol×K	1000.34	Joback Calculated Property
Cp,gas	719.81	J/mol×K	1037.85	Joback Calculated Property
Cp,gas	724.94	J/mol×K	1075.35	Joback Calculated Property
Cp,gas	729.20	J/mol×K	1112.85	Joback Calculated Property
Cp,gas	732.62	J/mol×K	1150.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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