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

InChI

InChI=1S/C16H17F3O5/c1-10(20)12-6-3-4-7-13(12)24-15(22)9-5-8-14(21)23-11(2)16(17,18)19/h3-4,6-7,11H,5,8-9H2,1-2H3

InChI Key

GWPHTZBLUAVEHF-UHFFFAOYSA-N

Formula

C16H17F3O5

SMILES

CC(=O)c1ccccc1OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

346.30

• 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	0.8230		Relay (1.0) Calculated Property
ΔfG°	-994.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1540.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.32	kJ/mol	Joback Calculated Property
ΔvapH°	85.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.459		Crippen Calculated Property
McVol	234.300	ml/mol	McGowan Calculated Property
Pc	1749.21	kPa	Joback Calculated Property
Inp	[1974.00; 1974.00]
Inp	1974.00		NIST
Inp	1974.00		NIST
Tboil	595.54	K	Relay (1.0) Calculated Property
Tc	781.28	K	Relay (1.0) Calculated Property
Tfus	323.15	K	Relay (1.0) Calculated Property
Vc	0.850	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.60; 750.05]	J/mol×K	[797.73; 998.00]
Cp,gas	689.60	J/mol×K	797.73	Joback Calculated Property
Cp,gas	701.97	J/mol×K	831.11	Joback Calculated Property
Cp,gas	713.38	J/mol×K	864.49	Joback Calculated Property
Cp,gas	723.87	J/mol×K	897.86	Joback Calculated Property
Cp,gas	733.45	J/mol×K	931.24	Joback Calculated Property
Cp,gas	742.17	J/mol×K	964.62	Joback Calculated Property
Cp,gas	750.05	J/mol×K	998.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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