Chemical Properties of Glutaric acid, oct-1-en-3-yl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C19H24ClFO4/c1-3-5-6-9-14(4-2)24-17(22)12-8-13-18(23)25-19-15(20)10-7-11-16(19)21/h4,7,10-11,14H,2-3,5-6,8-9,12-13H2,1H3

InChI Key

YAMQJZIDTSVEIP-UHFFFAOYSA-N

Formula

C19H24ClFO4

SMILES

C=CC(CCCCC)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

370.84

• 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°	-386.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-803.20	kJ/mol	Joback Calculated Property
ΔfusH°	46.28	kJ/mol	Joback Calculated Property
ΔvapH°	82.31	kJ/mol	Joback Calculated Property
log10WS	-6.23		Crippen Calculated Property
logPoct/wat	5.233		Crippen Calculated Property
McVol	279.400	ml/mol	McGowan Calculated Property
Pc	1391.25	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	856.28	K	Joback Calculated Property
Tc	1060.49	K	Joback Calculated Property
Tfus	513.42	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[825.79; 893.69]	J/mol×K	[856.28; 1060.49]
Cp,gas	825.79	J/mol×K	856.28	Joback Calculated Property
Cp,gas	839.69	J/mol×K	890.32	Joback Calculated Property
Cp,gas	852.52	J/mol×K	924.35	Joback Calculated Property
Cp,gas	864.32	J/mol×K	958.39	Joback Calculated Property
Cp,gas	875.09	J/mol×K	992.42	Joback Calculated Property
Cp,gas	884.88	J/mol×K	1026.46	Joback Calculated Property
Cp,gas	893.69	J/mol×K	1060.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, oct-1-en-3-yl 2-chloro-6-fluorophenyl ester.

Sources

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

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