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

InChI

InChI=1S/C15H16F4O4/c1-2-8-22-13(20)6-7-14(21)23-9-10-11(15(17,18)19)4-3-5-12(10)16/h3-5H,2,6-9H2,1H3

InChI Key

OFSRBTSSMHJSIT-UHFFFAOYSA-N

Formula

C15H16F4O4

SMILES

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

Molecular Weight¹

336.28

• 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).
• 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
ΔfG°	-1075.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1422.13	kJ/mol	Joback Calculated Property
ΔfusH°	38.35	kJ/mol	Joback Calculated Property
ΔvapH°	66.33	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	3.621		Crippen Calculated Property
McVol	220.410	ml/mol	McGowan Calculated Property
Pc	1699.10	kPa	Joback Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	725.67	K	Joback Calculated Property
Tc	912.13	K	Joback Calculated Property
Tfus	459.37	K	Joback Calculated Property
Vc	0.876	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.46; 691.73]	J/mol×K	[725.67; 912.13]
Cp,gas	626.46	J/mol×K	725.67	Joback Calculated Property
Cp,gas	639.29	J/mol×K	756.75	Joback Calculated Property
Cp,gas	651.32	J/mol×K	787.82	Joback Calculated Property
Cp,gas	662.55	J/mol×K	818.90	Joback Calculated Property
Cp,gas	673.02	J/mol×K	849.98	Joback Calculated Property
Cp,gas	682.74	J/mol×K	881.05	Joback Calculated Property
Cp,gas	691.73	J/mol×K	912.13	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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