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

InChI

InChI=1S/C13H12F4O4/c1-8(13(15,16)17)20-11(18)5-6-12(19)21-10-4-2-3-9(14)7-10/h2-4,7-8H,5-6H2,1H3

InChI Key

KONWWSKRLIYRPZ-UHFFFAOYSA-N

Formula

C13H12F4O4

SMILES

CC(OC(=O)CCC(=O)Oc1cccc(F)c1)C(F)(F)F

Molecular Weight¹

308.23

• 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°	-1085.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1374.66	kJ/mol	Joback Calculated Property
ΔfusH°	30.04	kJ/mol	Joback Calculated Property
ΔvapH°	60.83	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	3.005		Crippen Calculated Property
McVol	192.230	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[1547.00; 1547.00]
Inp	1547.00		NIST
Inp	1547.00		NIST
Tboil	674.49	K	Joback Calculated Property
Tc	864.84	K	Joback Calculated Property
Tfus	409.31	K	Joback Calculated Property
Vc	0.758	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.03; 585.07]	J/mol×K	[674.49; 864.84]
Cp,gas	523.03	J/mol×K	674.49	Joback Calculated Property
Cp,gas	535.29	J/mol×K	706.21	Joback Calculated Property
Cp,gas	546.75	J/mol×K	737.94	Joback Calculated Property
Cp,gas	557.44	J/mol×K	769.66	Joback Calculated Property
Cp,gas	567.37	J/mol×K	801.39	Joback Calculated Property
Cp,gas	576.58	J/mol×K	833.11	Joback Calculated Property
Cp,gas	585.07	J/mol×K	864.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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