Chemical Properties of (+)-«alpha»-Tocopherol, O-trifluoroacetyl-

InChI

InChI=1S/C31H49F3O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(36-29(35)31(32,33)34)23(5)24(6)28(26)37-30/h20-22H,9-19H2,1-8H3

InChI Key

WYAUJGNEMXZKRS-UHFFFAOYSA-N

Formula

C31H49F3O3

SMILES

Cc1c(C)c2c(c(C)c1OC(=O)C(F)(F)F)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2

Molecular Weight¹

526.71

• 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	1.0542		Relay (1.0) Calculated Property
ΔfG°	-591.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1527.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.90	kJ/mol	Joback Calculated Property
ΔvapH°	127.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-8.44		Relay (1.0) Calculated Property
logPoct/wat	9.602		Crippen Calculated Property
McVol	431.650	ml/mol	McGowan Calculated Property
Pc	695.08	kPa	Joback Calculated Property
Inp	[2918.00; 2918.00]
Inp	2918.00		NIST
Inp	2918.00		NIST
Tboil	694.50	K	Relay (1.0) Calculated Property
Tc	896.22	K	Relay (1.0) Calculated Property
Tfus	344.15	K	Relay (1.0) Calculated Property
Vc	1.588	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1572.44; 1744.96]	J/mol×K	[1068.01; 1314.18]
Cp,gas	1572.44	J/mol×K	1068.01	Joback Calculated Property
Cp,gas	1600.48	J/mol×K	1109.04	Joback Calculated Property
Cp,gas	1628.45	J/mol×K	1150.07	Joback Calculated Property
Cp,gas	1656.62	J/mol×K	1191.09	Joback Calculated Property
Cp,gas	1685.25	J/mol×K	1232.12	Joback Calculated Property
Cp,gas	1714.61	J/mol×K	1273.15	Joback Calculated Property
Cp,gas	1744.96	J/mol×K	1314.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-«alpha»-Tocopherol, O-trifluoroacetyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.