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_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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-995.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.24	kJ/mol	Joback Calculated Property
ΔvapH°	102.93	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.82		Relay (1.0) Calculated Property
logPoct/wat	5.458		Crippen Calculated Property
McVol	283.700	ml/mol	McGowan Calculated Property
Pc	1263.75	kPa	Joback Calculated Property
Inp	[2502.00; 2502.00]
Inp	2502.00		NIST
Inp	2502.00		NIST
Tboil	619.58	K	Relay (1.0) Calculated Property
Tfus	303.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.67; 906.51]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.01100e+01
Coefficient B			1.51992e+00
Coefficient C			-7.54520e-04
Coefficient D			9.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.67	J/mol×K	273.00	Calculated Property
Cp,gas	497.42	J/mol×K	353.78	Calculated Property
Cp,gas	575.58	J/mol×K	434.56	Calculated Property
Cp,gas	645.45	J/mol×K	515.33	Calculated Property
Cp,gas	707.31	J/mol×K	596.11	Calculated Property
Cp,gas	761.44	J/mol×K	676.89	Calculated Property
Cp,gas	808.14	J/mol×K	757.67	Calculated Property
Cp,gas	847.70	J/mol×K	838.44	Calculated Property
Cp,gas	880.39	J/mol×K	919.22	Calculated Property
Cp,gas	906.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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