Chemical Properties of Succinic acid, hex-4-yn-3-yl pentafluorophenyl ester

InChI

InChI=1S/C16H13F5O4/c1-3-5-8(4-2)24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h8H,4,6-7H2,1-2H3

InChI Key

APQQVLPUJDOCFA-UHFFFAOYSA-N

Formula

C16H13F5O4

SMILES

CC#CC(CC)OC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

364.26

• 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	0.7403		Relay (1.0) Calculated Property
ΔfG°	-1093.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1249.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.86	kJ/mol	Joback Calculated Property
ΔvapH°	86.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	3.413		Crippen Calculated Property
McVol	227.670	ml/mol	McGowan Calculated Property
Pc	1648.43	kPa	Joback Calculated Property
Inp	[1798.00; 1798.00]
Inp	1798.00		NIST
Inp	1798.00		NIST
Tboil	543.77	K	Relay (1.0) Calculated Property
Tc	755.58	K	Relay (1.0) Calculated Property
Tfus	334.05	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.91; 693.71]	J/mol×K	[774.55; 967.15]
Cp,gas	634.91	J/mol×K	774.55	Joback Calculated Property
Cp,gas	646.67	J/mol×K	806.65	Joback Calculated Property
Cp,gas	657.66	J/mol×K	838.75	Joback Calculated Property
Cp,gas	667.87	J/mol×K	870.85	Joback Calculated Property
Cp,gas	677.28	J/mol×K	902.95	Joback Calculated Property
Cp,gas	685.90	J/mol×K	935.05	Joback Calculated Property
Cp,gas	693.71	J/mol×K	967.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl pentafluorophenyl ester.

Sources

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

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