Chemical Properties of Glutaric acid, hept-2-yl 3-fluorophenyl ester

InChI

InChI=1S/C18H25FO4/c1-3-4-5-8-14(2)22-17(20)11-7-12-18(21)23-16-10-6-9-15(19)13-16/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3

InChI Key

PNOBBPSGZJQNJY-UHFFFAOYSA-N

Formula

C18H25FO4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Oc1cccc(F)c1

Molecular Weight¹

324.39

• 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°	-461.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-880.78	kJ/mol	Joback Calculated Property
ΔfusH°	41.16	kJ/mol	Joback Calculated Property
ΔvapH°	75.71	kJ/mol	Joback Calculated Property
log10WS	-5.28		Crippen Calculated Property
logPoct/wat	4.413		Crippen Calculated Property
McVol	257.370	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[2126.00; 2126.00]
Inp	2126.00		NIST
Inp	2126.00		NIST
Tboil	794.31	K	Joback Calculated Property
Tc	990.96	K	Joback Calculated Property
Tfus	461.47	K	Joback Calculated Property
Vc	0.996	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.34; 846.35]	J/mol×K	[794.31; 990.96]
Cp,gas	769.34	J/mol×K	794.31	Joback Calculated Property
Cp,gas	784.69	J/mol×K	827.09	Joback Calculated Property
Cp,gas	799.01	J/mol×K	859.86	Joback Calculated Property
Cp,gas	812.32	J/mol×K	892.64	Joback Calculated Property
Cp,gas	824.63	J/mol×K	925.41	Joback Calculated Property
Cp,gas	835.97	J/mol×K	958.19	Joback Calculated Property
Cp,gas	846.35	J/mol×K	990.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 3-fluorophenyl ester.

Sources

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

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