Chemical Properties of Succinic acid, 4-fluorophenethyl hexadecyl ester

InChI

InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-32-27(30)20-21-28(31)33-24-22-25-16-18-26(29)19-17-25/h16-19H,2-15,20-24H2,1H3

InChI Key

JJNLYKGTQJZXJO-UHFFFAOYSA-N

Formula

C28H45FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCc1ccc(F)cc1

Molecular Weight¹

464.65

• 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	1.2599		Relay (1.0) Calculated Property
ΔfG°	-374.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1195.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.58	kJ/mol	Joback Calculated Property
ΔvapH°	137.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-7.80		Relay (1.0) Calculated Property
logPoct/wat	7.716		Crippen Calculated Property
McVol	398.270	ml/mol	McGowan Calculated Property
Pc	796.63	kPa	Joback Calculated Property
Inp	[3240.00; 3240.00]
Inp	3240.00		NIST
Inp	3240.00		NIST
Tboil	699.63	K	Relay (1.0) Calculated Property
Tc	878.45	K	Relay (1.0) Calculated Property
Tfus	314.38	K	Relay (1.0) Calculated Property
Vc	1.511	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1376.21; 1460.37]	J/mol×K	[1023.55; 1261.30]
Cp,gas	1376.21	J/mol×K	1023.55	Joback Calculated Property
Cp,gas	1394.55	J/mol×K	1063.17	Joback Calculated Property
Cp,gas	1411.06	J/mol×K	1102.80	Joback Calculated Property
Cp,gas	1425.83	J/mol×K	1142.42	Joback Calculated Property
Cp,gas	1438.92	J/mol×K	1182.05	Joback Calculated Property
Cp,gas	1450.41	J/mol×K	1221.67	Joback Calculated Property
Cp,gas	1460.37	J/mol×K	1261.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-fluorophenethyl hexadecyl ester.

Sources

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

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