Chemical Properties of Succinic acid, hept-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C17H21F3O4/c1-3-4-5-6-11(2)23-14(21)9-10-15(22)24-13-8-7-12(18)16(19)17(13)20/h7-8,11H,3-6,9-10H2,1-2H3

InChI Key

KSXDGIGTIXLFOS-UHFFFAOYSA-N

Formula

C17H21F3O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

346.34

• 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	0.8649		Relay (1.0) Calculated Property
ΔfG°	-878.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1304.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.95	kJ/mol	Joback Calculated Property
ΔvapH°	89.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	4.301		Crippen Calculated Property
McVol	246.820	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[1985.00; 1985.00]
Inp	1985.00		NIST
Inp	1985.00		NIST
Tboil	575.37	K	Relay (1.0) Calculated Property
Tc	768.10	K	Relay (1.0) Calculated Property
Tfus	287.37	K	Relay (1.0) Calculated Property
Vc	0.918	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.20; 796.83]	J/mol×K	[779.93; 968.69]
Cp,gas	726.20	J/mol×K	779.93	Joback Calculated Property
Cp,gas	740.18	J/mol×K	811.39	Joback Calculated Property
Cp,gas	753.27	J/mol×K	842.85	Joback Calculated Property
Cp,gas	765.47	J/mol×K	874.31	Joback Calculated Property
Cp,gas	776.80	J/mol×K	905.77	Joback Calculated Property
Cp,gas	787.25	J/mol×K	937.23	Joback Calculated Property
Cp,gas	796.83	J/mol×K	968.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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