Chemical Properties of 2-Hydroxy-2-phenylethylamine di(trifluoroacetyl)- (CAS 13230-75-6)

InChI

InChI=1S/C12H9F6NO3/c13-11(14,15)9(20)19-6-8(7-4-2-1-3-5-7)22-10(21)12(16,17)18/h1-5,8H,6H2,(H,19,20)

InChI Key

GLBDCZYKIWFIDR-UHFFFAOYSA-N

Formula

C12H9F6NO3

SMILES

O=C(NCC(OC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F

Molecular Weight¹

329.20

CAS

13230-75-6

Other Names

• 2-Amino-1-phenylethanol, N,O-bis(trifluoroacetyl)-
• 1-Phenyl-2-[(trifluoroacetyl)amino]ethyl 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°	-1276.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1557.83	kJ/mol	Joback Calculated Property
ΔfusH°	30.49	kJ/mol	Joback Calculated Property
ΔvapH°	59.04	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	2.512		Crippen Calculated Property
McVol	185.790	ml/mol	McGowan Calculated Property
Pc	2181.56	kPa	Joback Calculated Property
Inp	[1330.00; 1330.00]
Inp	1330.00		NIST
Inp	1330.00		NIST
Tboil	669.69	K	Joback Calculated Property
Tc	857.63	K	Joback Calculated Property
Tfus	419.55	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.80; 572.67]	J/mol×K	[669.69; 857.63]
Cp,gas	517.80	J/mol×K	669.69	Joback Calculated Property
Cp,gas	528.91	J/mol×K	701.01	Joback Calculated Property
Cp,gas	539.16	J/mol×K	732.34	Joback Calculated Property
Cp,gas	548.62	J/mol×K	763.66	Joback Calculated Property
Cp,gas	557.32	J/mol×K	794.99	Joback Calculated Property
Cp,gas	565.32	J/mol×K	826.31	Joback Calculated Property
Cp,gas	572.67	J/mol×K	857.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-2-phenylethylamine di(trifluoroacetyl)-.

Sources

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

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