Chemical Properties of Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester

InChI

InChI=1S/C16H17FO4/c1-3-6-13(4-2)20-15(18)9-10-16(19)21-14-8-5-7-12(17)11-14/h5,7-8,11,13H,4,9-10H2,1-2H3

InChI Key

RXGDSFBAZQEQQX-UHFFFAOYSA-N

Formula

C16H17FO4

SMILES

CC#CC(CC)OC(=O)CCC(=O)Oc1cccc(F)c1

Molecular Weight¹

292.30

• 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°	-275.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.20	kJ/mol	Joback Calculated Property
ΔfusH°	39.10	kJ/mol	Joback Calculated Property
ΔvapH°	73.41	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	2.856		Crippen Calculated Property
McVol	220.590	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Tboil	757.55	K	Joback Calculated Property
Tc	972.79	K	Joback Calculated Property
Tfus	545.03	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.67; 678.43]	J/mol×K	[757.55; 972.79]
Cp,gas	608.67	J/mol×K	757.55	Joback Calculated Property
Cp,gas	622.79	J/mol×K	793.42	Joback Calculated Property
Cp,gas	635.90	J/mol×K	829.30	Joback Calculated Property
Cp,gas	648.00	J/mol×K	865.17	Joback Calculated Property
Cp,gas	659.12	J/mol×K	901.04	Joback Calculated Property
Cp,gas	669.26	J/mol×K	936.91	Joback Calculated Property
Cp,gas	678.43	J/mol×K	972.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester.

Sources

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

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