Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C16H19F3O5/c1-10-7-8-12(22-3)13(9-10)24-15(21)6-4-5-14(20)23-11(2)16(17,18)19/h7-9,11H,4-6H2,1-3H3

InChI Key

MWGSBTPJTVGLJR-UHFFFAOYSA-N

Formula

C16H19F3O5

SMILES

COc1ccc(C)cc1OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

348.31

• 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°	-979.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1384.16	kJ/mol	Joback Calculated Property
ΔfusH°	35.52	kJ/mol	Joback Calculated Property
ΔvapH°	71.40	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	3.573		Crippen Calculated Property
McVol	238.600	ml/mol	McGowan Calculated Property
Pc	1618.07	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	771.26	K	Joback Calculated Property
Tc	965.20	K	Joback Calculated Property
Tfus	477.28	K	Joback Calculated Property
Vc	0.926	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.87; 768.28]	J/mol×K	[771.26; 965.20]
Cp,gas	700.87	J/mol×K	771.26	Joback Calculated Property
Cp,gas	714.42	J/mol×K	803.58	Joback Calculated Property
Cp,gas	727.03	J/mol×K	835.91	Joback Calculated Property
Cp,gas	738.71	J/mol×K	868.23	Joback Calculated Property
Cp,gas	749.47	J/mol×K	900.56	Joback Calculated Property
Cp,gas	759.32	J/mol×K	932.88	Joback Calculated Property
Cp,gas	768.28	J/mol×K	965.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 5-methyl-2-methoxybenzyl ester.

Sources

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

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