Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 3-fluorophenyl ester

InChI

InChI=1S/C17H14ClFO4/c1-11-9-14(5-6-15(11)18)23-17(21)8-7-16(20)22-13-4-2-3-12(19)10-13/h2-6,9-10H,7-8H2,1H3

InChI Key

UYUBSMRUVPIFRS-UHFFFAOYSA-N

Formula

C17H14ClFO4

SMILES

Cc1cc(OC(=O)CCC(=O)Oc2cccc(F)c2)ccc1Cl

Molecular Weight¹

336.74

• 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	0.8040		Relay (1.0) Calculated Property
ΔfG°	-386.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-775.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.55	kJ/mol	Joback Calculated Property
ΔvapH°	104.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	4.079		Crippen Calculated Property
McVol	231.760	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	639.52	K	Relay (1.0) Calculated Property
Tc	898.86	K	Relay (1.0) Calculated Property
Tfus	351.04	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.27; 693.50]	J/mol×K	[845.94; 1073.89]
Cp,gas	640.27	J/mol×K	845.94	Joback Calculated Property
Cp,gas	651.94	J/mol×K	883.93	Joback Calculated Property
Cp,gas	662.46	J/mol×K	921.92	Joback Calculated Property
Cp,gas	671.86	J/mol×K	959.91	Joback Calculated Property
Cp,gas	680.16	J/mol×K	997.91	Joback Calculated Property
Cp,gas	687.36	J/mol×K	1035.90	Joback Calculated Property
Cp,gas	693.50	J/mol×K	1073.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 3-fluorophenyl ester.

Sources

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

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