Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H24F4O4/c1-4-6-16(12(2)3)27-18(25)10-9-17(24)26-11-13-14(19(21,22)23)7-5-8-15(13)20/h5,7-8,12,16H,4,6,9-11H2,1-3H3

InChI Key

IJUZGZGDPMZVMR-UHFFFAOYSA-N

Formula

C19H24F4O4

SMILES

CCCC(OC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F)C(C)C

Molecular Weight¹

392.39

• 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°	-1046.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1515.25	kJ/mol	Joback Calculated Property
ΔfusH°	41.66	kJ/mol	Joback Calculated Property
ΔvapH°	74.46	kJ/mol	Joback Calculated Property
log10WS	-5.99		Crippen Calculated Property
logPoct/wat	5.036		Crippen Calculated Property
McVol	276.770	ml/mol	McGowan Calculated Property
Pc	1280.99	kPa	Joback Calculated Property
Inp	[2074.00; 2074.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Tboil	816.31	K	Joback Calculated Property
Tc	1008.25	K	Joback Calculated Property
Tfus	474.45	K	Joback Calculated Property
Vc	1.089	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.59; 923.26]	J/mol×K	[816.31; 1008.25]
Cp,gas	850.59	J/mol×K	816.31	Joback Calculated Property
Cp,gas	865.13	J/mol×K	848.30	Joback Calculated Property
Cp,gas	878.65	J/mol×K	880.29	Joback Calculated Property
Cp,gas	891.20	J/mol×K	912.28	Joback Calculated Property
Cp,gas	902.79	J/mol×K	944.27	Joback Calculated Property
Cp,gas	913.47	J/mol×K	976.26	Joback Calculated Property
Cp,gas	923.26	J/mol×K	1008.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl 2-methylhex-3-yl ester.

Sources

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

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