Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C15H17F3O5/c1-9-4-5-11(21-3)12(8-9)23-14(20)7-6-13(19)22-10(2)15(16,17)18/h4-5,8,10H,6-7H2,1-3H3

InChI Key

GFMUKDUKGXXXHL-UHFFFAOYSA-N

Formula

C15H17F3O5

SMILES

COc1ccc(C)cc1OC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

334.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7969		Relay (1.0) Calculated Property
ΔfG°	-988.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1519.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.93	kJ/mol	Joback Calculated Property
ΔvapH°	84.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	3.183		Crippen Calculated Property
McVol	224.510	ml/mol	McGowan Calculated Property
Pc	1750.67	kPa	Joback Calculated Property
Inp	[1857.00; 1857.00]
Inp	1857.00		NIST
Inp	1857.00		NIST
Tboil	578.31	K	Relay (1.0) Calculated Property
Tc	757.03	K	Relay (1.0) Calculated Property
Tfus	331.81	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.99; 711.92]	J/mol×K	[748.38; 942.93]
Cp,gas	645.99	J/mol×K	748.38	Joback Calculated Property
Cp,gas	659.20	J/mol×K	780.81	Joback Calculated Property
Cp,gas	671.51	J/mol×K	813.23	Joback Calculated Property
Cp,gas	682.93	J/mol×K	845.66	Joback Calculated Property
Cp,gas	693.46	J/mol×K	878.08	Joback Calculated Property
Cp,gas	703.12	J/mol×K	910.51	Joback Calculated Property
Cp,gas	711.92	J/mol×K	942.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methoxy-5-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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