Chemical Properties of Acetic acid, 3,4,5-trifluorophenylmethyl ester

InChI

InChI=1S/C9H7F3O2/c1-5(13)14-4-6-2-7(10)9(12)8(11)3-6/h2-3H,4H2,1H3

InChI Key

FYYUZOSXIUIKOX-UHFFFAOYSA-N

Formula

C9H7F3O2

SMILES

CC(=O)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

204.15

• 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	0.5183		Relay (1.0) Calculated Property
ΔfG°	-709.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-837.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.97	kJ/mol	Joback Calculated Property
ΔvapH°	58.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	2.167		Crippen Calculated Property
McVol	126.660	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1169.00; 1169.00]
Inp	1169.00		NIST
Inp	1169.00		NIST
Tboil	453.71	K	Relay (1.0) Calculated Property
Tc	656.59	K	Relay (1.0) Calculated Property
Tfus	250.73	K	Relay (1.0) Calculated Property
Vc	0.477	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.60; 333.50]	J/mol×K	[521.04; 709.89]
Cp,gas	280.60	J/mol×K	521.04	Joback Calculated Property
Cp,gas	290.49	J/mol×K	552.51	Joback Calculated Property
Cp,gas	299.95	J/mol×K	583.99	Joback Calculated Property
Cp,gas	308.98	J/mol×K	615.46	Joback Calculated Property
Cp,gas	317.58	J/mol×K	646.94	Joback Calculated Property
Cp,gas	325.75	J/mol×K	678.41	Joback Calculated Property
Cp,gas	333.50	J/mol×K	709.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 3,4,5-trifluorophenylmethyl ester.

Sources

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

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