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

InChI

InChI=1S/C15H17F3O4/c1-2-10-21-12(19)8-9-13(20)22-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3

InChI Key

IGNBUTBAUFLECI-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

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

Molecular Weight¹

318.29

• 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	0.6944		Relay (1.0) Calculated Property
ΔfG°	-864.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1385.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.52	kJ/mol	Joback Calculated Property
ΔvapH°	80.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	3.567		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
Inp	[1708.00; 1708.00]
Inp	1708.00		NIST
Inp	1708.00		NIST
Tboil	555.26	K	Relay (1.0) Calculated Property
Tc	735.90	K	Relay (1.0) Calculated Property
Tfus	285.13	K	Relay (1.0) Calculated Property
Vc	0.790	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.97; 690.33]	J/mol×K	[716.00; 909.33]
Cp,gas	620.97	J/mol×K	716.00	Joback Calculated Property
Cp,gas	634.74	J/mol×K	748.22	Joback Calculated Property
Cp,gas	647.58	J/mol×K	780.44	Joback Calculated Property
Cp,gas	659.52	J/mol×K	812.66	Joback Calculated Property
Cp,gas	670.61	J/mol×K	844.89	Joback Calculated Property
Cp,gas	680.87	J/mol×K	877.11	Joback Calculated Property
Cp,gas	690.33	J/mol×K	909.33	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.