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

InChI

InChI=1S/C19H19F3O4/c1-13(19(20,21)22)26-18(24)8-4-7-17(23)25-12-14-9-10-15-5-2-3-6-16(15)11-14/h2-3,5-6,9-11,13H,4,7-8,12H2,1H3

InChI Key

XZAJGHIHCPUVPJ-UHFFFAOYSA-N

Formula

C19H19F3O4

SMILES

CC(OC(=O)CCCC(=O)OCc1ccc2ccccc2c1)C(F)(F)F

Molecular Weight¹

368.35

• 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°	-733.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1111.32	kJ/mol	Joback Calculated Property
ΔfusH°	39.51	kJ/mol	Joback Calculated Property
ΔvapH°	76.64	kJ/mol	Joback Calculated Property
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	4.547		Crippen Calculated Property
McVol	255.540	ml/mol	McGowan Calculated Property
Pc	1603.85	kPa	Joback Calculated Property
Inp	[2320.00; 2320.00]
Inp	2320.00		NIST
Inp	2320.00		NIST
Tboil	831.48	K	Joback Calculated Property
Tc	1038.31	K	Joback Calculated Property
Tfus	509.04	K	Joback Calculated Property
Vc	0.999	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.79; 835.44]	J/mol×K	[831.48; 1038.31]
Cp,gas	769.79	J/mol×K	831.48	Joback Calculated Property
Cp,gas	782.94	J/mol×K	865.95	Joback Calculated Property
Cp,gas	795.13	J/mol×K	900.42	Joback Calculated Property
Cp,gas	806.41	J/mol×K	934.89	Joback Calculated Property
Cp,gas	816.84	J/mol×K	969.36	Joback Calculated Property
Cp,gas	826.50	J/mol×K	1003.84	Joback Calculated Property
Cp,gas	835.44	J/mol×K	1038.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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