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

InChI

InChI=1S/C15H17F3O5/c1-10(15(16,17)18)23-14(20)8-7-13(19)22-9-11-3-5-12(21-2)6-4-11/h3-6,10H,7-9H2,1-2H3

InChI Key

HNCHDMOJDHTNGL-UHFFFAOYSA-N

Formula

C15H17F3O5

SMILES

COc1ccc(COC(=O)CCC(=O)OC(C)C(F)(F)F)cc1

Molecular Weight¹

334.29

• 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°	-978.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1352.05	kJ/mol	Joback Calculated Property
ΔfusH°	33.32	kJ/mol	Joback Calculated Property
ΔvapH°	68.51	kJ/mol	Joback Calculated Property
log10WS	-3.90		Crippen Calculated Property
logPoct/wat	3.013		Crippen Calculated Property
McVol	224.510	ml/mol	McGowan Calculated Property
Pc	1772.85	kPa	Joback Calculated Property
Inp	[1912.00; 1912.00]
Inp	1912.00		NIST
Inp	1912.00		NIST
Tboil	743.40	K	Joback Calculated Property
Tc	937.13	K	Joback Calculated Property
Tfus	453.49	K	Joback Calculated Property
Vc	0.871	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.98; 713.47]	J/mol×K	[743.40; 937.13]
Cp,gas	646.98	J/mol×K	743.40	Joback Calculated Property
Cp,gas	660.30	J/mol×K	775.69	Joback Calculated Property
Cp,gas	672.71	J/mol×K	807.98	Joback Calculated Property
Cp,gas	684.21	J/mol×K	840.26	Joback Calculated Property
Cp,gas	694.83	J/mol×K	872.55	Joback Calculated Property
Cp,gas	704.57	J/mol×K	904.84	Joback Calculated Property
Cp,gas	713.47	J/mol×K	937.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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