Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl (2-chlorocyclohexyl)methyl ester

InChI

InChI=1S/C17H19Cl2FO4/c18-12-5-2-1-4-11(12)10-23-15(21)8-9-16(22)24-17-13(19)6-3-7-14(17)20/h3,6-7,11-12H,1-2,4-5,8-10H2

InChI Key

CZEWUCKWRRZPHB-UHFFFAOYSA-N

Formula

C17H19Cl2FO4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)OCC1CCCCC1Cl

Molecular Weight¹

377.24

• 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	0.7683		Relay (1.0) Calculated Property
ΔfG°	-484.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-929.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.00	kJ/mol	Joback Calculated Property
ΔvapH°	105.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.505		Crippen Calculated Property
McVol	256.900	ml/mol	McGowan Calculated Property
Pc	1730.34	kPa	Joback Calculated Property
Inp	[2696.00; 2696.00]
Inp	2696.00		NIST
Inp	2696.00		NIST
Tboil	647.81	K	Relay (1.0) Calculated Property
Tc	902.52	K	Relay (1.0) Calculated Property
Tfus	346.29	K	Relay (1.0) Calculated Property
Vc	0.912	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[760.15; 820.93]	J/mol×K	[866.59; 1091.92]
Cp,gas	760.15	J/mol×K	866.59	Joback Calculated Property
Cp,gas	773.77	J/mol×K	904.14	Joback Calculated Property
Cp,gas	785.98	J/mol×K	941.70	Joback Calculated Property
Cp,gas	796.78	J/mol×K	979.25	Joback Calculated Property
Cp,gas	806.20	J/mol×K	1016.81	Joback Calculated Property
Cp,gas	814.24	J/mol×K	1054.36	Joback Calculated Property
Cp,gas	820.93	J/mol×K	1091.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl (2-chlorocyclohexyl)methyl ester.

Sources

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

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