Chemical Properties of O-Trifluoroacetyl-menthol (CAS 28587-50-0)

InChI

InChI=1S/C12H19F3O2/c1-7(2)9-5-4-8(3)6-10(9)17-11(16)12(13,14)15/h7-10H,4-6H2,1-3H3

InChI Key

ATXCXBAHNZQECW-UHFFFAOYSA-N

Formula

C12H19F3O2

SMILES

CC1CCC(C(C)C)C(OC(=O)C(F)(F)F)C1

Molecular Weight¹

252.27

CAS

28587-50-0

Other Names

• Trifluoroacetyl-menthol
• Menthol, trifluoroacetate

• 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°	-758.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1124.53	kJ/mol	Joback Calculated Property
ΔfusH°	21.90	kJ/mol	Joback Calculated Property
ΔvapH°	47.14	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.553		Crippen Calculated Property
McVol	181.830	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[1132.00; 1132.00]
Inp	1132.00		NIST
Inp	1132.00		NIST
Tboil	554.60	K	Joback Calculated Property
Tc	741.49	K	Joback Calculated Property
Tfus	285.25	K	Joback Calculated Property
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.28; 582.01]	J/mol×K	[554.60; 741.49]
Cp,gas	483.28	J/mol×K	554.60	Joback Calculated Property
Cp,gas	502.11	J/mol×K	585.75	Joback Calculated Property
Cp,gas	519.96	J/mol×K	616.90	Joback Calculated Property
Cp,gas	536.85	J/mol×K	648.05	Joback Calculated Property
Cp,gas	552.81	J/mol×K	679.19	Joback Calculated Property
Cp,gas	567.86	J/mol×K	710.34	Joback Calculated Property
Cp,gas	582.01	J/mol×K	741.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to O-Trifluoroacetyl-menthol.

Sources

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

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