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

InChI

InChI=1S/C14H13FO4/c1-3-10(2)18-13(16)8-9-14(17)19-12-7-5-4-6-11(12)15/h1,4-7,10H,8-9H2,2H3

InChI Key

BWKSUGJINUWRLR-UHFFFAOYSA-N

Formula

C14H13FO4

SMILES

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

Molecular Weight¹

264.25

• 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°	-272.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.32	kJ/mol	Joback Calculated Property
ΔfusH°	33.77	kJ/mol	Joback Calculated Property
ΔvapH°	66.66	kJ/mol	Joback Calculated Property
log10WS	-3.40		Crippen Calculated Property
logPoct/wat	2.076		Crippen Calculated Property
McVol	192.410	ml/mol	McGowan Calculated Property
Pc	2395.87	kPa	Joback Calculated Property
Inp	[1748.00; 1748.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Tboil	692.91	K	Joback Calculated Property
Tc	905.65	K	Joback Calculated Property
Tfus	463.36	K	Joback Calculated Property
Vc	0.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.89; 565.65]	J/mol×K	[692.91; 905.65]
Cp,gas	500.89	J/mol×K	692.91	Joback Calculated Property
Cp,gas	513.81	J/mol×K	728.37	Joback Calculated Property
Cp,gas	525.85	J/mol×K	763.82	Joback Calculated Property
Cp,gas	537.05	J/mol×K	799.28	Joback Calculated Property
Cp,gas	547.40	J/mol×K	834.74	Joback Calculated Property
Cp,gas	556.93	J/mol×K	870.19	Joback Calculated Property
Cp,gas	565.65	J/mol×K	905.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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