Chemical Properties of Succinic acid, butyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C16H17F5O4/c1-3-4-7-24-9(22)5-6-10(23)25-8(2)11-12(17)14(19)16(21)15(20)13(11)18/h8H,3-7H2,1-2H3

InChI Key

AHLJJBVFWNRJGZ-UHFFFAOYSA-N

Formula

C16H17F5O4

SMILES

CCCCOC(=O)CCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

368.30

• 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	0.8317		Relay (1.0) Calculated Property
ΔfG°	-1296.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1584.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.74	kJ/mol	Joback Calculated Property
ΔvapH°	84.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	4.110		Crippen Calculated Property
McVol	236.270	ml/mol	McGowan Calculated Property
Pc	1453.46	kPa	Joback Calculated Property
Inp	[1815.00; 1815.00]
Inp	1815.00		NIST
Inp	1815.00		NIST
Tboil	556.23	K	Relay (1.0) Calculated Property
Tc	737.66	K	Relay (1.0) Calculated Property
Tfus	297.34	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.02; 748.47]	J/mol×K	[765.55; 947.17]
Cp,gas	684.02	J/mol×K	765.55	Joback Calculated Property
Cp,gas	696.68	J/mol×K	795.82	Joback Calculated Property
Cp,gas	708.58	J/mol×K	826.09	Joback Calculated Property
Cp,gas	719.71	J/mol×K	856.36	Joback Calculated Property
Cp,gas	730.07	J/mol×K	886.63	Joback Calculated Property
Cp,gas	739.66	J/mol×K	916.90	Joback Calculated Property
Cp,gas	748.47	J/mol×K	947.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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