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

InChI

InChI=1S/C15H18ClFO4/c1-2-3-9-20-14(18)7-8-15(19)21-10-11-12(16)5-4-6-13(11)17/h4-6H,2-3,7-10H2,1H3

InChI Key

PYIPJBZLBSVXRJ-UHFFFAOYSA-N

Formula

C15H18ClFO4

SMILES

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

Molecular Weight¹

316.75

• 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	0.7925		Relay (1.0) Calculated Property
ΔfG°	-506.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-932.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.72	kJ/mol	Joback Calculated Property
ΔvapH°	90.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	3.646		Crippen Calculated Property
McVol	227.340	ml/mol	McGowan Calculated Property
Pc	1815.41	kPa	Joback Calculated Property
Inp	[2113.00; 2113.00]
Inp	2113.00		NIST
Inp	2113.00		NIST
Tboil	606.95	K	Relay (1.0) Calculated Property
Tc	798.12	K	Relay (1.0) Calculated Property
Tfus	302.87	K	Relay (1.0) Calculated Property
Vc	0.839	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.67; 691.90]	J/mol×K	[768.52; 969.89]
Cp,gas	626.67	J/mol×K	768.52	Joback Calculated Property
Cp,gas	639.75	J/mol×K	802.08	Joback Calculated Property
Cp,gas	651.93	J/mol×K	835.64	Joback Calculated Property
Cp,gas	663.23	J/mol×K	869.21	Joback Calculated Property
Cp,gas	673.65	J/mol×K	902.77	Joback Calculated Property
Cp,gas	683.20	J/mol×K	936.33	Joback Calculated Property
Cp,gas	691.90	J/mol×K	969.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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