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

InChI

InChI=1S/C14H16ClFO4/c1-2-8-19-13(17)6-7-14(18)20-9-10-11(15)4-3-5-12(10)16/h3-5H,2,6-9H2,1H3

InChI Key

PVBHFGDMFYMYNB-UHFFFAOYSA-N

Formula

C14H16ClFO4

SMILES

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

Molecular Weight¹

302.73

• 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	0.7520		Relay (1.0) Calculated Property
ΔfG°	-514.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-912.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.13	kJ/mol	Joback Calculated Property
ΔvapH°	85.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.256		Crippen Calculated Property
McVol	213.250	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[2016.00; 2016.00]
Inp	2016.00		NIST
Inp	2016.00		NIST
Tboil	598.49	K	Relay (1.0) Calculated Property
Tc	787.70	K	Relay (1.0) Calculated Property
Tfus	311.80	K	Relay (1.0) Calculated Property
Vc	0.788	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.64; 636.05]	J/mol×K	[745.64; 948.52]
Cp,gas	572.64	J/mol×K	745.64	Joback Calculated Property
Cp,gas	585.31	J/mol×K	779.45	Joback Calculated Property
Cp,gas	597.13	J/mol×K	813.27	Joback Calculated Property
Cp,gas	608.11	J/mol×K	847.08	Joback Calculated Property
Cp,gas	618.26	J/mol×K	880.89	Joback Calculated Property
Cp,gas	627.57	J/mol×K	914.70	Joback Calculated Property
Cp,gas	636.05	J/mol×K	948.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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