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

InChI

InChI=1S/C18H22F4O4/c1-2-3-4-5-11-25-16(23)9-10-17(24)26-12-13-14(18(20,21)22)7-6-8-15(13)19/h6-8H,2-5,9-12H2,1H3

InChI Key

GHJLZLCXRUIBOV-UHFFFAOYSA-N

Formula

C18H22F4O4

SMILES

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

Molecular Weight¹

378.36

• 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	0.8883		Relay (1.0) Calculated Property
ΔfG°	-1050.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1604.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.12	kJ/mol	Joback Calculated Property
ΔvapH°	90.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	4.791		Crippen Calculated Property
McVol	262.680	ml/mol	McGowan Calculated Property
Pc	1357.63	kPa	Joback Calculated Property
Inp	[2118.00; 2118.00]
Inp	2118.00		NIST
Inp	2118.00		NIST
Tboil	607.56	K	Relay (1.0) Calculated Property
Tc	778.84	K	Relay (1.0) Calculated Property
Tfus	304.56	K	Relay (1.0) Calculated Property
Vc	0.975	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.30; 862.95]	J/mol×K	[794.31; 981.98]
Cp,gas	792.30	J/mol×K	794.31	Joback Calculated Property
Cp,gas	806.29	J/mol×K	825.59	Joback Calculated Property
Cp,gas	819.36	J/mol×K	856.87	Joback Calculated Property
Cp,gas	831.53	J/mol×K	888.15	Joback Calculated Property
Cp,gas	842.83	J/mol×K	919.42	Joback Calculated Property
Cp,gas	853.30	J/mol×K	950.70	Joback Calculated Property
Cp,gas	862.95	J/mol×K	981.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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