Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C14H12ClF5O4/c1-8-6-9(2-3-10(8)15)24-12(22)5-4-11(21)23-7-13(16,17)14(18,19)20/h2-3,6H,4-5,7H2,1H3

InChI Key

HUQZOAINGHJAEL-UHFFFAOYSA-N

Formula

C14H12ClF5O4

SMILES

Cc1cc(OC(=O)CCC(=O)OCC(F)(F)C(F)(F)F)ccc1Cl

Molecular Weight¹

374.69

• 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	0.7715		Relay (1.0) Calculated Property
ΔfG°	-1287.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1778.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.62	kJ/mol	Joback Calculated Property
ΔvapH°	82.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	4.075		Crippen Calculated Property
McVol	220.330	ml/mol	McGowan Calculated Property
Pc	1746.28	kPa	Joback Calculated Property
Inp	[1823.00; 1823.00]
Inp	1823.00		NIST
Inp	1823.00		NIST
Tboil	567.75	K	Relay (1.0) Calculated Property
Tc	735.52	K	Relay (1.0) Calculated Property
Tfus	320.00	K	Relay (1.0) Calculated Property
Vc	0.800	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.90; 664.30]	J/mol×K	[736.26; 928.78]
Cp,gas	608.90	J/mol×K	736.26	Joback Calculated Property
Cp,gas	620.05	J/mol×K	768.35	Joback Calculated Property
Cp,gas	630.39	J/mol×K	800.43	Joback Calculated Property
Cp,gas	639.95	J/mol×K	832.52	Joback Calculated Property
Cp,gas	648.76	J/mol×K	864.61	Joback Calculated Property
Cp,gas	656.87	J/mol×K	896.69	Joback Calculated Property
Cp,gas	664.30	J/mol×K	928.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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