Chemical Properties of Succinic acid, 2-chloro-6-fluorobenzyl heptyl ester

InChI

InChI=1S/C18H24ClFO4/c1-2-3-4-5-6-12-23-17(21)10-11-18(22)24-13-14-15(19)8-7-9-16(14)20/h7-9H,2-6,10-13H2,1H3

InChI Key

XEQFKLYSCHJULR-UHFFFAOYSA-N

Formula

C18H24ClFO4

SMILES

CCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl

Molecular Weight¹

358.83

• 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	0.9133		Relay (... Calculated Property
ΔfG°	-480.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-990.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.49	kJ/mol	Joback Calculated Property
ΔvapH°	99.61	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	-5.68		Relay (... Calculated Property
logPoct/wat	4.816		Crippen Calculated Property
McVol	269.610	ml/mol	McGowan Calculated Property
Pc	1440.25	kPa	Joback Calculated Property
Inp	[2414.00; 2414.00]
Inp	2414.00		NIST
Inp	2414.00		NIST
Tboil	630.72	K	Relay (... Calculated Property
Tc	827.11	K	Relay (... Calculated Property
Tfus	312.29	K	Relay (... Calculated Property
Vc	1.000	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.89; 863.98]	J/mol×K	[837.16; 1037.52]
Cp,gas	794.89	J/mol×K	837.16	Joback Calculated Property
Cp,gas	808.91	J/mol×K	870.55	Joback Calculated Property
Cp,gas	821.91	J/mol×K	903.95	Joback Calculated Property
Cp,gas	833.90	J/mol×K	937.34	Joback Calculated Property
Cp,gas	844.90	J/mol×K	970.73	Joback Calculated Property
Cp,gas	854.92	J/mol×K	1004.13	Joback Calculated Property
Cp,gas	863.98	J/mol×K	1037.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl heptyl ester.

Sources

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

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