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

InChI

InChI=1S/C18H13ClF4O4/c1-10-9-11(5-6-13(10)19)26-15(24)7-8-16(25)27-14-4-2-3-12(17(14)20)18(21,22)23/h2-6,9H,7-8H2,1H3

InChI Key

MOBJYMQPOQQWSC-UHFFFAOYSA-N

Formula

C18H13ClF4O4

SMILES

Cc1cc(OC(=O)CCC(=O)Oc2cccc(C(F)(F)F)c2F)ccc1Cl

Molecular Weight¹

404.74

• 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	0.8506		Relay (... Calculated Property
ΔfG°	-969.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1408.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.58	kJ/mol	Joback Calculated Property
ΔvapH°	99.90	kJ/mol	Relay (... Calculated Property
IE	8.61	eV	Relay (... Calculated Property
log10WS	-6.13		Relay (... Calculated Property
logPoct/wat	5.098		Crippen Calculated Property
McVol	251.160	ml/mol	McGowan Calculated Property
Pc	1665.97	kPa	Joback Calculated Property
Inp	[2456.00; 2456.00]
Inp	2456.00		NIST
Inp	2456.00		NIST
Tboil	642.87	K	Relay (... Calculated Property
Tc	875.86	K	Relay (... Calculated Property
Tfus	363.31	K	Relay (... Calculated Property
Vc	0.913	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.75; 766.90]	J/mol×K	[868.38; 1083.67]
Cp,gas	717.75	J/mol×K	868.38	Joback Calculated Property
Cp,gas	728.37	J/mol×K	904.26	Joback Calculated Property
Cp,gas	737.97	J/mol×K	940.14	Joback Calculated Property
Cp,gas	746.58	J/mol×K	976.03	Joback Calculated Property
Cp,gas	754.26	J/mol×K	1011.91	Joback Calculated Property
Cp,gas	761.02	J/mol×K	1047.79	Joback Calculated Property
Cp,gas	766.90	J/mol×K	1083.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 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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