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

InChI

InChI=1S/C19H24ClFO4/c1-2-13-7-3-4-10-16(13)24-17(22)11-6-12-18(23)25-19-14(20)8-5-9-15(19)21/h5,8-9,13,16H,2-4,6-7,10-12H2,1H3

InChI Key

GSXFJQRWAQKVPX-UHFFFAOYSA-N

Formula

C19H24ClFO4

SMILES

CCC1CCCCC1OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

370.84

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8144		Relay (1.0) Calculated Property
ΔfG°	-455.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-969.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.99	kJ/mol	Joback Calculated Property
ΔvapH°	103.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	5.067		Crippen Calculated Property
McVol	272.840	ml/mol	McGowan Calculated Property
Pc	1527.07	kPa	Joback Calculated Property
Inp	[2477.00; 2477.00]
Inp	2477.00		NIST
Inp	2477.00		NIST
Tboil	641.71	K	Relay (1.0) Calculated Property
Tc	883.10	K	Relay (1.0) Calculated Property
Tfus	307.22	K	Relay (1.0) Calculated Property
Vc	0.975	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[851.13; 920.50]	J/mol×K	[874.92; 1093.67]
Cp,gas	851.13	J/mol×K	874.92	Joback Calculated Property
Cp,gas	866.28	J/mol×K	911.38	Joback Calculated Property
Cp,gas	879.97	J/mol×K	947.84	Joback Calculated Property
Cp,gas	892.23	J/mol×K	984.30	Joback Calculated Property
Cp,gas	903.05	J/mol×K	1020.75	Joback Calculated Property
Cp,gas	912.47	J/mol×K	1057.21	Joback Calculated Property
Cp,gas	920.50	J/mol×K	1093.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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