Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C17H18ClFO4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-17-13(18)8-5-9-14(17)19/h5,8-9,12H,4,6,10-11H2,1-2H3

InChI Key

INTXJVAMMLJPOG-UHFFFAOYSA-N

Formula

C17H18ClFO4

SMILES

CC#CC(CC)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

340.77

• 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°	-288.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-615.05	kJ/mol	Joback Calculated Property
ΔfusH°	45.50	kJ/mol	Joback Calculated Property
ΔvapH°	80.68	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	3.900		Crippen Calculated Property
McVol	246.920	ml/mol	McGowan Calculated Property
Pc	1778.84	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	822.84	K	Joback Calculated Property
Tc	1039.81	K	Joback Calculated Property
Tfus	598.74	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[687.21; 750.37]	J/mol×K	[822.84; 1039.81]
Cp,gas	687.21	J/mol×K	822.84	Joback Calculated Property
Cp,gas	700.35	J/mol×K	859.00	Joback Calculated Property
Cp,gas	712.43	J/mol×K	895.16	Joback Calculated Property
Cp,gas	723.46	J/mol×K	931.33	Joback Calculated Property
Cp,gas	733.46	J/mol×K	967.49	Joback Calculated Property
Cp,gas	742.42	J/mol×K	1003.65	Joback Calculated Property
Cp,gas	750.37	J/mol×K	1039.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-chloro-6-fluorophenyl ester.

Sources

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

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