Chemical Properties of Succinic acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C14H15F3O4/c1-2-20-11(18)8-9-12(19)21-13(14(15,16)17)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3

InChI Key

NSKMJTGLDUGMLP-UHFFFAOYSA-N

Formula

C14H15F3O4

SMILES

CCOC(=O)CCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

304.26

• 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	0.6451		Relay (1.0) Calculated Property
ΔfG°	-872.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1364.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	81.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-3.13		Relay (1.0) Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	204.550	ml/mol	McGowan Calculated Property
Pc	1980.59	kPa	Joback Calculated Property
Inp	[1623.00; 1623.00]
Inp	1623.00		NIST
Inp	1623.00		NIST
Tboil	540.58	K	Relay (1.0) Calculated Property
Tc	730.41	K	Relay (1.0) Calculated Property
Tfus	292.53	K	Relay (1.0) Calculated Property
Vc	0.737	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.86; 635.26]	J/mol×K	[693.12; 887.98]
Cp,gas	567.86	J/mol×K	693.12	Joback Calculated Property
Cp,gas	581.24	J/mol×K	725.60	Joback Calculated Property
Cp,gas	593.73	J/mol×K	758.07	Joback Calculated Property
Cp,gas	605.34	J/mol×K	790.55	Joback Calculated Property
Cp,gas	616.12	J/mol×K	823.03	Joback Calculated Property
Cp,gas	626.08	J/mol×K	855.51	Joback Calculated Property
Cp,gas	635.26	J/mol×K	887.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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

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