Chemical Properties of Succinic acid, hexyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C17H20F4O4/c1-2-3-4-5-8-24-13(22)6-7-14(23)25-10-11-9-12(18)16(20)17(21)15(11)19/h9H,2-8,10H2,1H3

InChI Key

GVHHPNBLBVCWNU-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

CCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

364.33

• 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	0.9081		Relay (1.0) Calculated Property
ΔfG°	-1080.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1437.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.16	kJ/mol	Joback Calculated Property
ΔvapH°	90.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.95		Relay (1.0) Calculated Property
logPoct/wat	4.190		Crippen Calculated Property
McVol	248.590	ml/mol	McGowan Calculated Property
Pc	1405.90	kPa	Joback Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	587.40	K	Relay (1.0) Calculated Property
Tc	762.56	K	Relay (1.0) Calculated Property
Tfus	282.81	K	Relay (1.0) Calculated Property
Vc	0.936	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[732.41; 800.45]	J/mol×K	[784.62; 968.87]
Cp,gas	732.41	J/mol×K	784.62	Joback Calculated Property
Cp,gas	745.82	J/mol×K	815.33	Joback Calculated Property
Cp,gas	758.41	J/mol×K	846.04	Joback Calculated Property
Cp,gas	770.16	J/mol×K	876.74	Joback Calculated Property
Cp,gas	781.08	J/mol×K	907.45	Joback Calculated Property
Cp,gas	791.18	J/mol×K	938.16	Joback Calculated Property
Cp,gas	800.45	J/mol×K	968.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hexyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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