Chemical Properties of Succinic acid, 4-fluorobenzyl 2-methylhex-3-yl ester

InChI

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

InChI Key

XRWKWVLGFPBEAD-UHFFFAOYSA-N

Formula

C18H25FO4

SMILES

CCCC(OC(=O)CCC(=O)OCc1ccc(F)cc1)C(C)C

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	0.8002		Relay (1.0) Calculated Property
ΔfG°	-464.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-989.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.64	kJ/mol	Joback Calculated Property
ΔvapH°	92.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	4.017		Crippen Calculated Property
McVol	257.370	ml/mol	McGowan Calculated Property
Pc	1517.57	kPa	Joback Calculated Property
Inp	[2087.00; 2087.00]
Inp	2087.00		NIST
Inp	2087.00		NIST
Tboil	610.19	K	Relay (1.0) Calculated Property
Tc	791.20	K	Relay (1.0) Calculated Property
Tfus	275.97	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.87; 847.43]	J/mol×K	[793.87; 992.71]
Cp,gas	769.87	J/mol×K	793.87	Joback Calculated Property
Cp,gas	785.39	J/mol×K	827.01	Joback Calculated Property
Cp,gas	799.85	J/mol×K	860.15	Joback Calculated Property
Cp,gas	813.27	J/mol×K	893.29	Joback Calculated Property
Cp,gas	825.66	J/mol×K	926.43	Joback Calculated Property
Cp,gas	837.04	J/mol×K	959.57	Joback Calculated Property
Cp,gas	847.43	J/mol×K	992.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-fluorobenzyl 2-methylhex-3-yl ester.

Sources

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

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