Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester

InChI

InChI=1S/C20H26F4O4/c1-2-3-4-5-6-7-13-27-18(25)11-12-19(26)28-14-15-16(20(22,23)24)9-8-10-17(15)21/h8-10H,2-7,11-14H2,1H3

InChI Key

UTXRYTHMBWTBOZ-UHFFFAOYSA-N

Formula

C20H26F4O4

SMILES

CCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

406.41

• 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	0.9661		Relay (1.0) Calculated Property
ΔfG°	-1033.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1642.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.30	kJ/mol	Joback Calculated Property
ΔvapH°	97.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	5.572		Crippen Calculated Property
McVol	290.860	ml/mol	McGowan Calculated Property
Pc	1184.16	kPa	Joback Calculated Property
Inp	[2315.00; 2315.00]
Inp	2315.00		NIST
Inp	2315.00		NIST
Tboil	628.05	K	Relay (1.0) Calculated Property
Tc	798.55	K	Relay (1.0) Calculated Property
Tfus	312.33	K	Relay (1.0) Calculated Property
Vc	1.084	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.57; 981.24]	J/mol×K	[840.07; 1031.79]
Cp,gas	907.57	J/mol×K	840.07	Joback Calculated Property
Cp,gas	922.28	J/mol×K	872.02	Joback Calculated Property
Cp,gas	935.97	J/mol×K	903.98	Joback Calculated Property
Cp,gas	948.67	J/mol×K	935.93	Joback Calculated Property
Cp,gas	960.43	J/mol×K	967.89	Joback Calculated Property
Cp,gas	971.28	J/mol×K	999.84	Joback Calculated Property
Cp,gas	981.24	J/mol×K	1031.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester.

Sources

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

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