Chemical Properties of Succinic acid, dec-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C20H27F3O4/c1-3-4-5-6-7-8-9-14(2)26-17(24)12-13-18(25)27-16-11-10-15(21)19(22)20(16)23/h10-11,14H,3-9,12-13H2,1-2H3

InChI Key

XXUFLKYTCWDPQW-UHFFFAOYSA-N

Formula

C20H27F3O4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

388.42

• 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°	-853.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1337.22	kJ/mol	Joback Calculated Property
ΔfusH°	51.72	kJ/mol	Joback Calculated Property
ΔvapH°	79.85	kJ/mol	Joback Calculated Property
log10WS	-6.78		Crippen Calculated Property
logPoct/wat	5.472		Crippen Calculated Property
McVol	289.090	ml/mol	McGowan Calculated Property
Pc	1199.79	kPa	Joback Calculated Property
Inp	[2289.00; 2289.00]
Inp	2289.00		NIST
Inp	2289.00		NIST
Tboil	848.57	K	Joback Calculated Property
Tc	1042.25	K	Joback Calculated Property
Tfus	510.23	K	Joback Calculated Property
Vc	1.143	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.97; 973.34]	J/mol×K	[848.57; 1042.25]
Cp,gas	898.97	J/mol×K	848.57	Joback Calculated Property
Cp,gas	913.99	J/mol×K	880.85	Joback Calculated Property
Cp,gas	927.94	J/mol×K	913.13	Joback Calculated Property
Cp,gas	940.84	J/mol×K	945.41	Joback Calculated Property
Cp,gas	952.69	J/mol×K	977.69	Joback Calculated Property
Cp,gas	963.52	J/mol×K	1009.97	Joback Calculated Property
Cp,gas	973.34	J/mol×K	1042.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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