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

InChI

InChI=1S/C16H19F3O5/c1-10(2)22-12-6-4-5-7-13(12)24-15(21)9-8-14(20)23-11(3)16(17,18)19/h4-7,10-11H,8-9H2,1-3H3

InChI Key

FYNDKOJCKNSEPL-UHFFFAOYSA-N

Formula

C16H19F3O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

348.31

• 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°	-972.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1377.97	kJ/mol	Joback Calculated Property
ΔfusH°	32.39	kJ/mol	Joback Calculated Property
ΔvapH°	70.35	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	3.653		Crippen Calculated Property
McVol	238.600	ml/mol	McGowan Calculated Property
Pc	1648.43	kPa	Joback Calculated Property
Inp	[1798.00; 1798.00]
Inp	1798.00		NIST
Inp	1798.00		NIST
Tboil	765.84	K	Joback Calculated Property
Tc	961.27	K	Joback Calculated Property
Tfus	449.76	K	Joback Calculated Property
Vc	0.920	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.37; 770.89]	J/mol×K	[765.84; 961.27]
Cp,gas	702.37	J/mol×K	765.84	Joback Calculated Property
Cp,gas	716.19	J/mol×K	798.41	Joback Calculated Property
Cp,gas	729.03	J/mol×K	830.98	Joback Calculated Property
Cp,gas	740.90	J/mol×K	863.55	Joback Calculated Property
Cp,gas	751.82	J/mol×K	896.12	Joback Calculated Property
Cp,gas	761.81	J/mol×K	928.70	Joback Calculated Property
Cp,gas	770.89	J/mol×K	961.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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