Chemical Properties of Succinic acid, phenyl pentafluorobenzyl ester

InChI

InChI=1S/C17H11F5O4/c18-13-10(14(19)16(21)17(22)15(13)20)8-25-11(23)6-7-12(24)26-9-4-2-1-3-5-9/h1-5H,6-8H2

InChI Key

PVNQTJMLDZDVHK-UHFFFAOYSA-N

Formula

C17H11F5O4

SMILES

O=C(CCC(=O)Oc1ccccc1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

374.26

• 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	0.8295		Relay (1.0) Calculated Property
ΔfG°	-1172.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1311.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	94.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-6.12		Relay (1.0) Calculated Property
logPoct/wat	3.811		Crippen Calculated Property
McVol	226.600	ml/mol	McGowan Calculated Property
Pc	1741.91	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	613.38	K	Relay (1.0) Calculated Property
Tc	831.83	K	Relay (1.0) Calculated Property
Tfus	342.97	K	Relay (1.0) Calculated Property
Vc	0.836	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.43; 697.53]	J/mol×K	[815.55; 1016.26]
Cp,gas	645.43	J/mol×K	815.55	Joback Calculated Property
Cp,gas	656.37	J/mol×K	849.00	Joback Calculated Property
Cp,gas	666.40	J/mol×K	882.45	Joback Calculated Property
Cp,gas	675.53	J/mol×K	915.90	Joback Calculated Property
Cp,gas	683.76	J/mol×K	949.36	Joback Calculated Property
Cp,gas	691.09	J/mol×K	982.81	Joback Calculated Property
Cp,gas	697.53	J/mol×K	1016.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenyl pentafluorobenzyl ester.

Sources

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

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