Chemical Properties of Succinic acid, ethyl pentafluorophenyl ester

InChI

InChI=1S/C12H9F5O4/c1-2-20-5(18)3-4-6(19)21-12-10(16)8(14)7(13)9(15)11(12)17/h2-4H2,1H3

InChI Key

UJJIVIIWNPPMNN-UHFFFAOYSA-N

Formula

C12H9F5O4

SMILES

CCOC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

312.19

• 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	0.7420		Relay (1.0) Calculated Property
ΔfG°	-1327.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1467.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.91	kJ/mol	Joback Calculated Property
ΔvapH°	77.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	2.631		Crippen Calculated Property
McVol	179.910	ml/mol	McGowan Calculated Property
Pc	1980.59	kPa	Joback Calculated Property
Inp	[1471.00; 1471.00]
Inp	1471.00		NIST
Inp	1471.00		NIST
Tboil	509.87	K	Relay (1.0) Calculated Property
Tc	707.15	K	Relay (1.0) Calculated Property
Tfus	302.68	K	Relay (1.0) Calculated Property
Vc	0.685	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.39; 526.00]	J/mol×K	[674.47; 852.73]
Cp,gas	472.39	J/mol×K	674.47	Joback Calculated Property
Cp,gas	482.64	J/mol×K	704.18	Joback Calculated Property
Cp,gas	492.37	J/mol×K	733.89	Joback Calculated Property
Cp,gas	501.59	J/mol×K	763.60	Joback Calculated Property
Cp,gas	510.27	J/mol×K	793.31	Joback Calculated Property
Cp,gas	518.41	J/mol×K	823.02	Joback Calculated Property
Cp,gas	526.00	J/mol×K	852.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl pentafluorophenyl ester.

Sources

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

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