Chemical Properties of Succinic acid, 2-fluorophenethyl tridecyl ester

InChI

InChI=1S/C25H39FO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-29-24(27)17-18-25(28)30-21-19-22-15-12-13-16-23(22)26/h12-13,15-16H,2-11,14,17-21H2,1H3

InChI Key

JTTQCNORASERQC-UHFFFAOYSA-N

Formula

C25H39FO4

SMILES

CCCCCCCCCCCCCOC(=O)CCC(=O)OCCc1ccccc1F

Molecular Weight¹

422.57

• 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	1.1452		Relay (1.0) Calculated Property
ΔfG°	-400.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1128.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.81	kJ/mol	Joback Calculated Property
ΔvapH°	124.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-6.90		Relay (1.0) Calculated Property
logPoct/wat	6.546		Crippen Calculated Property
McVol	356.000	ml/mol	McGowan Calculated Property
Pc	943.84	kPa	Joback Calculated Property
Inp	[2938.00; 2938.00]
Inp	2938.00		NIST
Inp	2938.00		NIST
Tboil	672.95	K	Relay (1.0) Calculated Property
Tc	857.35	K	Relay (1.0) Calculated Property
Tfus	311.94	K	Relay (1.0) Calculated Property
Vc	1.346	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1188.22; 1270.46]	J/mol×K	[954.91; 1169.45]
Cp,gas	1188.22	J/mol×K	954.91	Joback Calculated Property
Cp,gas	1205.40	J/mol×K	990.67	Joback Calculated Property
Cp,gas	1221.13	J/mol×K	1026.42	Joback Calculated Property
Cp,gas	1235.46	J/mol×K	1062.18	Joback Calculated Property
Cp,gas	1248.43	J/mol×K	1097.94	Joback Calculated Property
Cp,gas	1260.08	J/mol×K	1133.69	Joback Calculated Property
Cp,gas	1270.46	J/mol×K	1169.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenethyl tridecyl ester.

Sources

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

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