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

InChI

InChI=1S/C13H12ClF3O4/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

PDKNAXJOWNBFCK-UHFFFAOYSA-N

Formula

C13H12ClF3O4

SMILES

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

Molecular Weight¹

324.68

• 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°	-902.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1194.29	kJ/mol	Joback Calculated Property
ΔfusH°	31.15	kJ/mol	Joback Calculated Property
ΔvapH°	66.03	kJ/mol	Joback Calculated Property
log10WS	-4.20		Crippen Calculated Property
logPoct/wat	3.520		Crippen Calculated Property
McVol	202.700	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	712.65	K	Joback Calculated Property
Tc	914.04	K	Joback Calculated Property
Tfus	438.64	K	Joback Calculated Property
Vc	0.789	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.11; 598.36]	J/mol×K	[712.65; 914.04]
Cp,gas	540.11	J/mol×K	712.65	Joback Calculated Property
Cp,gas	551.87	J/mol×K	746.21	Joback Calculated Property
Cp,gas	562.77	J/mol×K	779.78	Joback Calculated Property
Cp,gas	572.84	J/mol×K	813.34	Joback Calculated Property
Cp,gas	582.12	J/mol×K	846.91	Joback Calculated Property
Cp,gas	590.62	J/mol×K	880.47	Joback Calculated Property
Cp,gas	598.36	J/mol×K	914.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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