Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl hexyl ester

InChI

InChI=1S/C17H22ClFO4/c1-2-3-4-5-12-22-15(20)10-7-11-16(21)23-17-13(18)8-6-9-14(17)19/h6,8-9H,2-5,7,10-12H2,1H3

InChI Key

YDRRKXAGOQPLMQ-UHFFFAOYSA-N

Formula

C17H22ClFO4

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

344.81

• 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°	-489.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.07	kJ/mol	Joback Calculated Property
ΔfusH°	45.90	kJ/mol	Joback Calculated Property
ΔvapH°	78.92	kJ/mol	Joback Calculated Property
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	4.678		Crippen Calculated Property
McVol	255.520	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[2301.00; 2301.00]
Inp	2301.00		NIST
Inp	2301.00		NIST
Tboil	814.28	K	Joback Calculated Property
Tc	1014.35	K	Joback Calculated Property
Tfus	507.64	K	Joback Calculated Property
Vc	0.995	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.88; 805.90]	J/mol×K	[814.28; 1014.35]
Cp,gas	737.88	J/mol×K	814.28	Joback Calculated Property
Cp,gas	751.62	J/mol×K	847.62	Joback Calculated Property
Cp,gas	764.38	J/mol×K	880.97	Joback Calculated Property
Cp,gas	776.17	J/mol×K	914.31	Joback Calculated Property
Cp,gas	787.02	J/mol×K	947.66	Joback Calculated Property
Cp,gas	796.92	J/mol×K	981.00	Joback Calculated Property
Cp,gas	805.90	J/mol×K	1014.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl hexyl ester.

Sources

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

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