Chemical Properties of Acetic acid, (4-(trifluoromethoxy)phenyl)methyl ester (CAS 102606-99-5)

InChI

InChI=1S/C10H9F3O3/c1-7(14)15-6-8-2-4-9(5-3-8)16-10(11,12)13/h2-5H,6H2,1H3

InChI Key

LEOJDDUQYRSCSH-UHFFFAOYSA-N

Formula

C10H9F3O3

SMILES

CC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

234.17

CAS

102606-99-5

• 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°	-784.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-998.77	kJ/mol	Joback Calculated Property
ΔfusH°	21.11	kJ/mol	Joback Calculated Property
ΔvapH°	48.61	kJ/mol	Joback Calculated Property
log10WS	-3.33		Crippen Calculated Property
logPoct/wat	2.648		Crippen Calculated Property
McVol	146.620	ml/mol	McGowan Calculated Property
Pc	2632.55	kPa	Joback Calculated Property
Inp	[1202.00; 1202.00]
Inp	1202.00		NIST
Inp	1202.00		NIST
Tboil	553.15	K	Joback Calculated Property
Tc	747.14	K	Joback Calculated Property
Tfus	339.98	K	Joback Calculated Property
Vc	0.573	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.27; 414.01]	J/mol×K	[553.15; 747.14]
Cp,gas	352.27	J/mol×K	553.15	Joback Calculated Property
Cp,gas	364.21	J/mol×K	585.48	Joback Calculated Property
Cp,gas	375.47	J/mol×K	617.81	Joback Calculated Property
Cp,gas	386.07	J/mol×K	650.15	Joback Calculated Property
Cp,gas	396.01	J/mol×K	682.48	Joback Calculated Property
Cp,gas	405.32	J/mol×K	714.81	Joback Calculated Property
Cp,gas	414.01	J/mol×K	747.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (4-(trifluoromethoxy)phenyl)methyl ester.

Sources

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

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