Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenylpropyl ester

InChI

InChI=1S/C17H21F3O4/c1-13(17(18,19)20)24-16(22)11-5-10-15(21)23-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3

InChI Key

SNRUEARCIYJOJV-UHFFFAOYSA-N

Formula

C17H21F3O4

SMILES

CC(OC(=O)CCCC(=O)OCCCc1ccccc1)C(F)(F)F

Molecular Weight¹

346.34

• 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°	-847.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1249.64	kJ/mol	Joback Calculated Property
ΔfusH°	37.70	kJ/mol	Joback Calculated Property
ΔvapH°	69.89	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	3.827		Crippen Calculated Property
McVol	246.820	ml/mol	McGowan Calculated Property
Pc	1556.12	kPa	Joback Calculated Property
Inp	[1948.00; 1948.00]
Inp	1948.00		NIST
Inp	1948.00		NIST
Tboil	761.76	K	Joback Calculated Property
Tc	953.47	K	Joback Calculated Property
Tfus	441.28	K	Joback Calculated Property
Vc	0.965	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.54; 803.11]	J/mol×K	[761.76; 953.47]
Cp,gas	730.54	J/mol×K	761.76	Joback Calculated Property
Cp,gas	744.95	J/mol×K	793.71	Joback Calculated Property
Cp,gas	758.38	J/mol×K	825.66	Joback Calculated Property
Cp,gas	770.88	J/mol×K	857.62	Joback Calculated Property
Cp,gas	782.48	J/mol×K	889.57	Joback Calculated Property
Cp,gas	793.21	J/mol×K	921.52	Joback Calculated Property
Cp,gas	803.11	J/mol×K	953.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenylpropyl ester.

Sources

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

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