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

InChI

InChI=1S/C18H21F3O4/c19-13-9-10-14(18(21)17(13)20)25-16(23)8-4-7-15(22)24-11-12-5-2-1-3-6-12/h9-10,12H,1-8,11H2

InChI Key

YFEPFUQRTLJWOB-UHFFFAOYSA-N

Formula

C18H21F3O4

SMILES

O=C(CCCC(=O)Oc1ccc(F)c(F)c1F)OCC1CCCCC1

Molecular Weight¹

358.35

• 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°	-843.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1236.34	kJ/mol	Joback Calculated Property
ΔfusH°	41.90	kJ/mol	Joback Calculated Property
ΔvapH°	76.21	kJ/mol	Joback Calculated Property
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	4.303		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[2297.00; 2297.00]
Inp	2297.00		NIST
Inp	2297.00		NIST
Tboil	822.80	K	Joback Calculated Property
Tc	1028.02	K	Joback Calculated Property
Tfus	510.07	K	Joback Calculated Property
Vc	0.971	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.70; 849.00]	J/mol×K	[822.80; 1028.02]
Cp,gas	776.70	J/mol×K	822.80	Joback Calculated Property
Cp,gas	791.75	J/mol×K	857.00	Joback Calculated Property
Cp,gas	805.59	J/mol×K	891.21	Joback Calculated Property
Cp,gas	818.22	J/mol×K	925.41	Joback Calculated Property
Cp,gas	829.66	J/mol×K	959.62	Joback Calculated Property
Cp,gas	839.92	J/mol×K	993.82	Joback Calculated Property
Cp,gas	849.00	J/mol×K	1028.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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