Chemical Properties of Succinic acid, 1-(2-fluorophenyl)ethyl hexyl ester

InChI

InChI=1S/C18H25FO4/c1-3-4-5-8-13-22-17(20)11-12-18(21)23-14(2)15-9-6-7-10-16(15)19/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3

InChI Key

HNHDLAXIIYTRBC-UHFFFAOYSA-N

Formula

C18H25FO4

SMILES

CCCCCCOC(=O)CCC(=O)OC(C)c1ccccc1F

Molecular Weight¹

324.39

• 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	0.8295		Relay (1.0) Calculated Property
ΔfG°	-461.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1009.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.16	kJ/mol	Joback Calculated Property
ΔvapH°	94.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.334		Crippen Calculated Property
McVol	257.370	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	594.28	K	Relay (1.0) Calculated Property
Tc	793.42	K	Relay (1.0) Calculated Property
Tfus	285.83	K	Relay (1.0) Calculated Property
Vc	0.953	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.34; 846.35]	J/mol×K	[794.31; 990.96]
Cp,gas	769.34	J/mol×K	794.31	Joback Calculated Property
Cp,gas	784.69	J/mol×K	827.09	Joback Calculated Property
Cp,gas	799.01	J/mol×K	859.86	Joback Calculated Property
Cp,gas	812.32	J/mol×K	892.64	Joback Calculated Property
Cp,gas	824.63	J/mol×K	925.41	Joback Calculated Property
Cp,gas	835.97	J/mol×K	958.19	Joback Calculated Property
Cp,gas	846.35	J/mol×K	990.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2-fluorophenyl)ethyl hexyl ester.

Sources

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

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