Chemical Properties of Succinic acid, hept-2-yl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C18H22F4O4/c1-3-4-5-7-12(2)25-15(23)10-11-16(24)26-14-9-6-8-13(17(14)19)18(20,21)22/h6,8-9,12H,3-5,7,10-11H2,1-2H3

InChI Key

VQYJDLMKAUOQFP-UHFFFAOYSA-N

Formula

C18H22F4O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

378.36

• 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	0.8739		Relay (1.0) Calculated Property
ΔfG°	-1052.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1631.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.60	kJ/mol	Joback Calculated Property
ΔvapH°	87.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	5.042		Crippen Calculated Property
McVol	262.680	ml/mol	McGowan Calculated Property
Pc	1365.67	kPa	Joback Calculated Property
Inp	[1999.00; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Tboil	586.78	K	Relay (1.0) Calculated Property
Tc	771.20	K	Relay (1.0) Calculated Property
Tfus	300.21	K	Relay (1.0) Calculated Property
Vc	0.972	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.85; 863.84]	J/mol×K	[793.87; 983.08]
Cp,gas	792.85	J/mol×K	793.87	Joback Calculated Property
Cp,gas	806.95	J/mol×K	825.41	Joback Calculated Property
Cp,gas	820.11	J/mol×K	856.94	Joback Calculated Property
Cp,gas	832.35	J/mol×K	888.48	Joback Calculated Property
Cp,gas	843.70	J/mol×K	920.01	Joback Calculated Property
Cp,gas	854.19	J/mol×K	951.55	Joback Calculated Property
Cp,gas	863.84	J/mol×K	983.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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