Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C13H10F6O4/c1-6(13(17,18)19)22-9(20)4-5-10(21)23-8-3-2-7(14)11(15)12(8)16/h2-3,6H,4-5H2,1H3

InChI Key

CYPFGRWRNLUEAQ-UHFFFAOYSA-N

Formula

C13H10F6O4

SMILES

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

Molecular Weight¹

344.21

• 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°	-1494.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1789.82	kJ/mol	Joback Calculated Property
ΔfusH°	35.42	kJ/mol	Joback Calculated Property
ΔvapH°	60.52	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.283		Crippen Calculated Property
McVol	195.770	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[1546.00; 1546.00]
Inp	1546.00		NIST
Inp	1546.00		NIST
Tboil	682.99	K	Joback Calculated Property
Tc	862.43	K	Joback Calculated Property
Tfus	435.53	K	Joback Calculated Property
Vc	0.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.96; 593.52]	J/mol×K	[682.99; 862.43]
Cp,gas	536.96	J/mol×K	682.99	Joback Calculated Property
Cp,gas	548.02	J/mol×K	712.90	Joback Calculated Property
Cp,gas	558.42	J/mol×K	742.80	Joback Calculated Property
Cp,gas	568.15	J/mol×K	772.71	Joback Calculated Property
Cp,gas	577.24	J/mol×K	802.62	Joback Calculated Property
Cp,gas	585.69	J/mol×K	832.52	Joback Calculated Property
Cp,gas	593.52	J/mol×K	862.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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