Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C18H16ClFO5/c1-11-6-7-14(23-2)15(10-11)24-16(21)8-9-17(22)25-18-12(19)4-3-5-13(18)20/h3-7,10H,8-9H2,1-2H3

InChI Key

IBDLMKJTEGDJNL-UHFFFAOYSA-N

Formula

C18H16ClFO5

SMILES

COc1ccc(C)cc1OC(=O)CCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

366.77

• 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	0.8813		Relay (1.0) Calculated Property
ΔfG°	-492.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-879.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.94	kJ/mol	Joback Calculated Property
ΔvapH°	108.34	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.087		Crippen Calculated Property
McVol	251.720	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[2632.00; 2632.00]
Inp	2632.00		NIST
Inp	2632.00		NIST
Tboil	638.31	K	Relay (1.0) Calculated Property
Tc	914.03	K	Relay (1.0) Calculated Property
Tfus	372.05	K	Relay (1.0) Calculated Property
Vc	0.924	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.05; 767.44]	J/mol×K	[896.22; 1121.70]
Cp,gas	720.05	J/mol×K	896.22	Joback Calculated Property
Cp,gas	731.17	J/mol×K	933.80	Joback Calculated Property
Cp,gas	741.00	J/mol×K	971.38	Joback Calculated Property
Cp,gas	749.55	J/mol×K	1008.96	Joback Calculated Property
Cp,gas	756.81	J/mol×K	1046.54	Joback Calculated Property
Cp,gas	762.78	J/mol×K	1084.12	Joback Calculated Property
Cp,gas	767.44	J/mol×K	1121.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2-methoxy-5-methylphenyl ester.

Sources

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

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