Chemical Properties of Glutaric acid, hept-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C18H23F3O4/c1-3-4-5-7-12(2)24-15(22)8-6-9-16(23)25-14-11-10-13(19)17(20)18(14)21/h10-12H,3-9H2,1-2H3

InChI Key

SLLPSZKVYCKRJB-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

360.37

• 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°	-870.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1295.94	kJ/mol	Joback Calculated Property
ΔfusH°	46.54	kJ/mol	Joback Calculated Property
ΔvapH°	75.40	kJ/mol	Joback Calculated Property
log10WS	-5.94		Crippen Calculated Property
logPoct/wat	4.692		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1376.84	kPa	Joback Calculated Property
Inp	[2086.00; 2086.00]
Inp	2086.00		NIST
Inp	2086.00		NIST
Tboil	802.81	K	Joback Calculated Property
Tc	992.51	K	Joback Calculated Property
Tfus	487.69	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.91; 854.94]	J/mol×K	[802.81; 992.51]
Cp,gas	782.91	J/mol×K	802.81	Joback Calculated Property
Cp,gas	797.25	J/mol×K	834.43	Joback Calculated Property
Cp,gas	810.64	J/mol×K	866.04	Joback Calculated Property
Cp,gas	823.10	J/mol×K	897.66	Joback Calculated Property
Cp,gas	834.63	J/mol×K	929.28	Joback Calculated Property
Cp,gas	845.24	J/mol×K	960.89	Joback Calculated Property
Cp,gas	854.94	J/mol×K	992.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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