Chemical Properties of Succinic acid, 2-fluorophenyl non-5-yn-3-yl ester

InChI

InChI=1S/C19H23FO4/c1-3-5-6-7-10-15(4-2)23-18(21)13-14-19(22)24-17-12-9-8-11-16(17)20/h8-9,11-12,15H,3-5,10,13-14H2,1-2H3

InChI Key

NKQHOWHWFULFNW-UHFFFAOYSA-N

Formula

C19H23FO4

SMILES

CCCC#CCC(CC)OC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

334.38

• 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).
• 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
ΔfG°	-250.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-629.12	kJ/mol	Joback Calculated Property
ΔfusH°	46.87	kJ/mol	Joback Calculated Property
ΔvapH°	80.09	kJ/mol	Joback Calculated Property
log10WS	-5.49		Crippen Calculated Property
logPoct/wat	4.027		Crippen Calculated Property
McVol	262.860	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[2290.00; 2290.00]
Inp	2290.00		NIST
Inp	2290.00		NIST
Tboil	826.19	K	Joback Calculated Property
Tc	1035.78	K	Joback Calculated Property
Tfus	578.84	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.27; 849.26]	J/mol×K	[826.19; 1035.78]
Cp,gas	776.27	J/mol×K	826.19	Joback Calculated Property
Cp,gas	791.16	J/mol×K	861.12	Joback Calculated Property
Cp,gas	804.93	J/mol×K	896.05	Joback Calculated Property
Cp,gas	817.61	J/mol×K	930.98	Joback Calculated Property
Cp,gas	829.22	J/mol×K	965.92	Joback Calculated Property
Cp,gas	839.76	J/mol×K	1000.85	Joback Calculated Property
Cp,gas	849.26	J/mol×K	1035.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl non-5-yn-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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