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

InChI

InChI=1S/C28H42F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-35-26(33)19-20-27(34)36-22-23-24(28(30,31)32)17-16-18-25(23)29/h16-18H,2-15,19-22H2,1H3

InChI Key

PXXNUWAXWWHFQQ-UHFFFAOYSA-N

Formula

C28H42F4O4

SMILES

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

Molecular Weight¹

518.62

• 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	1.2599		Relay (1.0) Calculated Property
ΔfG°	-966.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1791.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.02	kJ/mol	Joback Calculated Property
ΔvapH°	128.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-8.41		Relay (1.0) Calculated Property
logPoct/wat	8.692		Crippen Calculated Property
McVol	403.580	ml/mol	McGowan Calculated Property
Pc	740.84	kPa	Joback Calculated Property
Inp	[3106.00; 3106.00]
Inp	3106.00		NIST
Inp	3106.00		NIST
Tboil	692.42	K	Relay (1.0) Calculated Property
Tc	865.68	K	Relay (1.0) Calculated Property
Tfus	334.70	K	Relay (1.0) Calculated Property
Vc	1.514	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1395.32; 1481.52]	J/mol×K	[1023.11; 1268.10]
Cp,gas	1395.32	J/mol×K	1023.11	Joback Calculated Property
Cp,gas	1413.75	J/mol×K	1063.94	Joback Calculated Property
Cp,gas	1430.41	J/mol×K	1104.77	Joback Calculated Property
Cp,gas	1445.41	J/mol×K	1145.60	Joback Calculated Property
Cp,gas	1458.86	J/mol×K	1186.44	Joback Calculated Property
Cp,gas	1470.86	J/mol×K	1227.27	Joback Calculated Property
Cp,gas	1481.52	J/mol×K	1268.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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