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

InChI

InChI=1S/C17H10ClF5O4/c18-10-4-2-5-11(19)16(10)27-14(25)8-7-13(24)26-12-6-1-3-9(15(12)20)17(21,22)23/h1-6H,7-8H2

InChI Key

XQEWRVKXKJTJDD-UHFFFAOYSA-N

Formula

C17H10ClF5O4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

408.70

• 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	0.8268		Relay (1.0) Calculated Property
ΔfG°	-1172.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1495.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.07	kJ/mol	Joback Calculated Property
ΔvapH°	98.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	4.928		Crippen Calculated Property
McVol	238.840	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	607.14	K	Relay (1.0) Calculated Property
Tc	858.55	K	Relay (1.0) Calculated Property
Tfus	354.87	K	Relay (1.0) Calculated Property
Vc	0.875	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.21; 716.40]	J/mol×K	[844.77; 1055.20]
Cp,gas	670.21	J/mol×K	844.77	Joback Calculated Property
Cp,gas	680.16	J/mol×K	879.84	Joback Calculated Property
Cp,gas	689.17	J/mol×K	914.91	Joback Calculated Property
Cp,gas	697.26	J/mol×K	949.99	Joback Calculated Property
Cp,gas	704.48	J/mol×K	985.06	Joback Calculated Property
Cp,gas	710.85	J/mol×K	1020.13	Joback Calculated Property
Cp,gas	716.40	J/mol×K	1055.20	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.