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

InChI

InChI=1S/C16H18F4O4/c1-2-3-9-23-14(21)7-8-15(22)24-10-11-12(16(18,19)20)5-4-6-13(11)17/h4-6H,2-3,7-10H2,1H3

InChI Key

RJOVGBBDSUMECB-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

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

Molecular Weight¹

350.31

• 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	0.8070		Relay (1.0) Calculated Property
ΔfG°	-1067.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1567.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.94	kJ/mol	Joback Calculated Property
ΔvapH°	83.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	4.011		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1572.21	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	585.02	K	Relay (1.0) Calculated Property
Tc	756.11	K	Relay (1.0) Calculated Property
Tfus	298.50	K	Relay (1.0) Calculated Property
Vc	0.869	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.70; 747.93]	J/mol×K	[748.55; 934.84]
Cp,gas	680.70	J/mol×K	748.55	Joback Calculated Property
Cp,gas	693.94	J/mol×K	779.60	Joback Calculated Property
Cp,gas	706.34	J/mol×K	810.65	Joback Calculated Property
Cp,gas	717.91	J/mol×K	841.69	Joback Calculated Property
Cp,gas	728.69	J/mol×K	872.74	Joback Calculated Property
Cp,gas	738.69	J/mol×K	903.79	Joback Calculated Property
Cp,gas	747.93	J/mol×K	934.84	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.