Chemical Properties of Succinic acid, di(2-chloro-6-fluorobenzyl) ester

InChI

InChI=1S/C18H14Cl2F2O4/c19-13-3-1-5-15(21)11(13)9-25-17(23)7-8-18(24)26-10-12-14(20)4-2-6-16(12)22/h1-6H,7-10H2

InChI Key

BEZRVXNUAWATQV-UHFFFAOYSA-N

Formula

C18H14Cl2F2O4

SMILES

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

Molecular Weight¹

403.20

• 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	0.8468		Relay (... Calculated Property
ΔfG°	-594.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	49.03	kJ/mol	Joback Calculated Property
ΔvapH°	114.42	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	-6.14		Relay (... Calculated Property
logPoct/wat	4.838		Crippen Calculated Property
McVol	259.860	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[2728.00; 2728.00]
Inp	2728.00		NIST
Inp	2728.00		NIST
Tboil	658.37	K	Relay (... Calculated Property
Tc	909.14	K	Relay (... Calculated Property
Tfus	377.50	K	Relay (... Calculated Property
Vc	0.944	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[722.21; 766.07]	J/mol×K	[910.50; 1134.41]
Cp,gas	722.21	J/mol×K	910.50	Joback Calculated Property
Cp,gas	732.28	J/mol×K	947.82	Joback Calculated Property
Cp,gas	741.22	J/mol×K	985.14	Joback Calculated Property
Cp,gas	749.05	J/mol×K	1022.45	Joback Calculated Property
Cp,gas	755.80	J/mol×K	1059.77	Joback Calculated Property
Cp,gas	761.46	J/mol×K	1097.09	Joback Calculated Property
Cp,gas	766.07	J/mol×K	1134.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2-chloro-6-fluorobenzyl) ester.

Sources

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

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