Chemical Properties of Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester

InChI

InChI=1S/C16H18F4O4/c1-2-9-23-14(21)7-4-8-15(22)24-10-11-12(16(18,19)20)5-3-6-13(11)17/h3,5-6H,2,4,7-10H2,1H3

InChI Key

MOVNVRWCKFTSSI-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

CCCOC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

350.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8127		Relay (1.0) Calculated Property
ΔfG°	-1067.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1569.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.94	kJ/mol	Joback Calculated Property
ΔvapH°	82.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	4.011		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1572.21	kPa	Joback Calculated Property
Inp	[2103.00; 2103.00]
Inp	2103.00		NIST
Inp	2103.00		NIST
Tboil	589.74	K	Relay (1.0) Calculated Property
Tc	756.19	K	Relay (1.0) Calculated Property
Tfus	304.57	K	Relay (1.0) Calculated Property
Vc	0.871	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.70; 747.93]	J/mol×K	[748.55; 934.84]
Cp,gas	680.70	J/mol×K	748.55	Joback Calculated Property
Cp,gas	693.94	J/mol×K	779.60	Joback Calculated Property
Cp,gas	706.34	J/mol×K	810.65	Joback Calculated Property
Cp,gas	717.91	J/mol×K	841.69	Joback Calculated Property
Cp,gas	728.69	J/mol×K	872.74	Joback Calculated Property
Cp,gas	738.69	J/mol×K	903.79	Joback Calculated Property
Cp,gas	747.93	J/mol×K	934.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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