Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 4-methoxybenzyl ester

InChI

InChI=1S/C18H16ClFO5/c1-23-13-7-5-12(6-8-13)11-24-16(21)9-10-17(22)25-18-14(19)3-2-4-15(18)20/h2-8H,9-11H2,1H3

InChI Key

WPWGKTMZNLMUEE-UHFFFAOYSA-N

Formula

C18H16ClFO5

SMILES

COc1ccc(COC(=O)CCC(=O)Oc2c(F)cccc2Cl)cc1

Molecular Weight¹

366.77

• 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).
• 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
ΔfG°	-482.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-809.87	kJ/mol	Joback Calculated Property
ΔfusH°	43.33	kJ/mol	Joback Calculated Property
ΔvapH°	86.49	kJ/mol	Joback Calculated Property
log10WS	-5.15		Crippen Calculated Property
logPoct/wat	3.917		Crippen Calculated Property
McVol	251.720	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Inp	[2731.00; 2731.00]
Inp	2731.00		NIST
Inp	2731.00		NIST
Tboil	891.24	K	Joback Calculated Property
Tc	1115.95	K	Joback Calculated Property
Tfus	580.08	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.57; 770.01]	J/mol×K	[891.24; 1115.95]
Cp,gas	721.57	J/mol×K	891.24	Joback Calculated Property
Cp,gas	732.80	J/mol×K	928.69	Joback Calculated Property
Cp,gas	742.76	J/mol×K	966.14	Joback Calculated Property
Cp,gas	751.45	J/mol×K	1003.60	Joback Calculated Property
Cp,gas	758.89	J/mol×K	1041.05	Joback Calculated Property
Cp,gas	765.07	J/mol×K	1078.50	Joback Calculated Property
Cp,gas	770.01	J/mol×K	1115.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 4-methoxybenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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