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

InChI

InChI=1S/C19H26ClFO4/c1-2-3-4-5-6-7-14-24-17(22)12-9-13-18(23)25-19-15(20)10-8-11-16(19)21/h8,10-11H,2-7,9,12-14H2,1H3

InChI Key

RBBPXOIEBVYLLG-UHFFFAOYSA-N

Formula

C19H26ClFO4

SMILES

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

Molecular Weight¹

372.86

• 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°	-472.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-923.35	kJ/mol	Joback Calculated Property
ΔfusH°	51.08	kJ/mol	Joback Calculated Property
ΔvapH°	83.37	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	5.458		Crippen Calculated Property
McVol	283.700	ml/mol	McGowan Calculated Property
Pc	1340.78	kPa	Joback Calculated Property
Inp	[2502.00; 2502.00]
Inp	2502.00		NIST
Inp	2502.00		NIST
Tboil	860.04	K	Joback Calculated Property
Tc	1061.39	K	Joback Calculated Property
Tfus	530.18	K	Joback Calculated Property
Vc	1.107	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.73; 922.74]	J/mol×K	[860.04; 1061.39]
Cp,gas	852.73	J/mol×K	860.04	Joback Calculated Property
Cp,gas	867.03	J/mol×K	893.60	Joback Calculated Property
Cp,gas	880.25	J/mol×K	927.16	Joback Calculated Property
Cp,gas	892.41	J/mol×K	960.72	Joback Calculated Property
Cp,gas	903.53	J/mol×K	994.28	Joback Calculated Property
Cp,gas	913.64	J/mol×K	1027.83	Joback Calculated Property
Cp,gas	922.74	J/mol×K	1061.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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