Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 1-naphthyl ester

InChI

InChI=1S/C18H17F3O4/c1-12(18(19,20)21)24-16(22)10-5-11-17(23)25-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12H,5,10-11H2,1H3

InChI Key

LXFCABFOAAXFTE-UHFFFAOYSA-N

Formula

C18H17F3O4

SMILES

CC(OC(=O)CCCC(=O)Oc1cccc2ccccc12)C(F)(F)F

Molecular Weight¹

354.32

• 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°	-741.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1090.68	kJ/mol	Joback Calculated Property
ΔfusH°	36.92	kJ/mol	Joback Calculated Property
ΔvapH°	74.42	kJ/mol	Joback Calculated Property
log10WS	-5.74		Crippen Calculated Property
logPoct/wat	4.410		Crippen Calculated Property
McVol	241.450	ml/mol	McGowan Calculated Property
Pc	1734.67	kPa	Joback Calculated Property
Inp	[2215.00; 2215.00]
Inp	2215.00		NIST
Inp	2215.00		NIST
Tboil	808.60	K	Joback Calculated Property
Tc	1016.26	K	Joback Calculated Property
Tfus	497.77	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.86; 777.86]	J/mol×K	[808.60; 1016.26]
Cp,gas	713.86	J/mol×K	808.60	Joback Calculated Property
Cp,gas	726.73	J/mol×K	843.21	Joback Calculated Property
Cp,gas	738.63	J/mol×K	877.82	Joback Calculated Property
Cp,gas	749.63	J/mol×K	912.43	Joback Calculated Property
Cp,gas	759.80	J/mol×K	947.04	Joback Calculated Property
Cp,gas	769.19	J/mol×K	981.65	Joback Calculated Property
Cp,gas	777.86	J/mol×K	1016.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 1-naphthyl ester.

Sources

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

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