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

InChI

InChI=1S/C13H14ClFO4/c1-2-18-12(16)6-7-13(17)19-8-9-10(14)4-3-5-11(9)15/h3-5H,2,6-8H2,1H3

InChI Key

XHJYSCAYZYMIIO-UHFFFAOYSA-N

Formula

C13H14ClFO4

SMILES

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

Molecular Weight¹

288.70

• 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°	-522.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.51	kJ/mol	Joback Calculated Property
ΔfusH°	35.54	kJ/mol	Joback Calculated Property
ΔvapH°	70.01	kJ/mol	Joback Calculated Property
log10WS	-3.60		Crippen Calculated Property
logPoct/wat	2.866		Crippen Calculated Property
McVol	199.160	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[1904.00; 1904.00]
Inp	1904.00		NIST
Inp	1904.00		NIST
Tboil	722.76	K	Joback Calculated Property
Tc	927.65	K	Joback Calculated Property
Tfus	462.56	K	Joback Calculated Property
Vc	0.770	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.75; 581.01]	J/mol×K	[722.76; 927.65]
Cp,gas	519.75	J/mol×K	722.76	Joback Calculated Property
Cp,gas	531.96	J/mol×K	756.91	Joback Calculated Property
Cp,gas	543.37	J/mol×K	791.06	Joback Calculated Property
Cp,gas	553.98	J/mol×K	825.20	Joback Calculated Property
Cp,gas	563.78	J/mol×K	859.35	Joback Calculated Property
Cp,gas	572.79	J/mol×K	893.50	Joback Calculated Property
Cp,gas	581.01	J/mol×K	927.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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