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

InChI

InChI=1S/C18H24ClFO4/c1-3-4-5-8-13(2)23-16(21)11-7-12-17(22)24-18-14(19)9-6-10-15(18)20/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3

InChI Key

CGOHXVRLGRGLMC-UHFFFAOYSA-N

Formula

C18H24ClFO4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

358.83

• 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	0.8942		Relay (1.0) Calculated Property
ΔfG°	-483.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-994.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.97	kJ/mol	Joback Calculated Property
ΔvapH°	96.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	5.067		Crippen Calculated Property
McVol	269.610	ml/mol	McGowan Calculated Property
Pc	1449.04	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	601.78	K	Relay (1.0) Calculated Property
Tc	822.54	K	Relay (1.0) Calculated Property
Tfus	300.10	K	Relay (1.0) Calculated Property
Vc	0.995	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.44; 864.79]	J/mol×K	[836.72; 1038.92]
Cp,gas	795.44	J/mol×K	836.72	Joback Calculated Property
Cp,gas	809.57	J/mol×K	870.42	Joback Calculated Property
Cp,gas	822.66	J/mol×K	904.12	Joback Calculated Property
Cp,gas	834.71	J/mol×K	937.82	Joback Calculated Property
Cp,gas	845.74	J/mol×K	971.52	Joback Calculated Property
Cp,gas	855.76	J/mol×K	1005.22	Joback Calculated Property
Cp,gas	864.79	J/mol×K	1038.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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