Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorobenzyl ester

InChI

InChI=1S/C16H9F13O4/c17-8-5(9(18)11(20)12(21)10(8)19)3-32-6(30)1-2-7(31)33-4-14(24,25)16(28,29)15(26,27)13(22)23/h13H,1-4H2

InChI Key

NITFPYAZMCLHLU-UHFFFAOYSA-N

Formula

C16H9F13O4

SMILES

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

Molecular Weight¹

512.22

• 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	0.8913		Relay (1.0) Calculated Property
ΔfG°	-2846.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-3071.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.14	kJ/mol	Joback Calculated Property
ΔvapH°	91.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-7.79		Relay (1.0) Calculated Property
logPoct/wat	4.920		Crippen Calculated Property
McVol	250.430	ml/mol	McGowan Calculated Property
Pc	1168.02	kPa	Joback Calculated Property
Inp	[1736.00; 1736.00]
Inp	1736.00		NIST
Inp	1736.00		NIST
Tboil	571.76	K	Relay (1.0) Calculated Property
Tc	719.86	K	Relay (1.0) Calculated Property
Tfus	333.84	K	Relay (1.0) Calculated Property
Vc	0.954	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.55; 805.32]	J/mol×K	[750.02; 919.30]
Cp,gas	752.55	J/mol×K	750.02	Joback Calculated Property
Cp,gas	763.04	J/mol×K	778.23	Joback Calculated Property
Cp,gas	772.81	J/mol×K	806.45	Joback Calculated Property
Cp,gas	781.89	J/mol×K	834.66	Joback Calculated Property
Cp,gas	790.31	J/mol×K	862.87	Joback Calculated Property
Cp,gas	798.11	J/mol×K	891.08	Joback Calculated Property
Cp,gas	805.32	J/mol×K	919.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorobenzyl ester.

Sources

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

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