Chemical Properties of Succinic acid, hexyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C18H23F3O4/c1-2-3-4-7-12-24-16(22)10-11-17(23)25-13-14-8-5-6-9-15(14)18(19,20)21/h5-6,8-9H,2-4,7,10-13H2,1H3

InChI Key

WBGNCGUZZBTLQE-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

360.37

• 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	0.8766		Relay (1.0) Calculated Property
ΔfG°	-845.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1412.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.43	kJ/mol	Joback Calculated Property
ΔvapH°	89.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-4.85		Relay (1.0) Calculated Property
logPoct/wat	4.652		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1419.71	kPa	Joback Calculated Property
Inp	[2120.00; 2120.00]
Inp	2120.00		NIST
Inp	2120.00		NIST
Tboil	608.28	K	Relay (1.0) Calculated Property
Tc	783.17	K	Relay (1.0) Calculated Property
Tfus	287.70	K	Relay (1.0) Calculated Property
Vc	0.969	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.53; 858.49]	J/mol×K	[790.06; 980.80]
Cp,gas	785.53	J/mol×K	790.06	Joback Calculated Property
Cp,gas	799.99	J/mol×K	821.85	Joback Calculated Property
Cp,gas	813.48	J/mol×K	853.64	Joback Calculated Property
Cp,gas	826.05	J/mol×K	885.43	Joback Calculated Property
Cp,gas	837.71	J/mol×K	917.22	Joback Calculated Property
Cp,gas	848.52	J/mol×K	949.01	Joback Calculated Property
Cp,gas	858.49	J/mol×K	980.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hexyl 2-(trifluoromethyl)benzyl ester.

Sources

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

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