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

InChI

InChI=1S/C17H20F4O4/c1-2-3-4-10-24-15(22)8-9-16(23)25-11-12-13(17(19,20)21)6-5-7-14(12)18/h5-7H,2-4,8-11H2,1H3

InChI Key

GHLPVZJYBKGAJE-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

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

Molecular Weight¹

364.33

• 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°	-1058.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1463.41	kJ/mol	Joback Calculated Property
ΔfusH°	43.53	kJ/mol	Joback Calculated Property
ΔvapH°	70.78	kJ/mol	Joback Calculated Property
log10WS	-5.28		Crippen Calculated Property
logPoct/wat	4.401		Crippen Calculated Property
McVol	248.590	ml/mol	McGowan Calculated Property
Pc	1459.02	kPa	Joback Calculated Property
Inp	[2018.00; 2018.00]
Inp	2018.00		NIST
Inp	2018.00		NIST
Tboil	771.43	K	Joback Calculated Property
Tc	958.10	K	Joback Calculated Property
Tfus	481.91	K	Joback Calculated Property
Vc	0.989	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.00; 805.01]	J/mol×K	[771.43; 958.10]
Cp,gas	736.00	J/mol×K	771.43	Joback Calculated Property
Cp,gas	749.63	J/mol×K	802.54	Joback Calculated Property
Cp,gas	762.37	J/mol×K	833.65	Joback Calculated Property
Cp,gas	774.25	J/mol×K	864.77	Joback Calculated Property
Cp,gas	785.31	J/mol×K	895.88	Joback Calculated Property
Cp,gas	795.55	J/mol×K	926.99	Joback Calculated Property
Cp,gas	805.01	J/mol×K	958.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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