Chemical Properties of 6-Amino-1-hexanol, N,O-bis(trifluoroacetyl)-

InChI

InChI=1S/C10H13F6NO3/c11-9(12,13)7(18)17-5-3-1-2-4-6-20-8(19)10(14,15)16/h1-6H2,(H,17,18)

InChI Key

RJZPKKUQEKOKLE-UHFFFAOYSA-N

Formula

C10H13F6NO3

SMILES

O=C(NCCCCCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

309.21

• 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	0.6813		Relay (1.0) Calculated Property
ΔfG°	-1403.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1834.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.79	kJ/mol	Joback Calculated Property
ΔvapH°	71.11	kJ/mol	Relay (1.0) Calculated Property
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.331		Crippen Calculated Property
McVol	181.370	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
Inp	[1349.00; 1349.00]
Inp	1349.00		NIST
Inp	1349.00		NIST
Tboil	478.70	K	Relay (1.0) Calculated Property
Tc	639.88	K	Relay (1.0) Calculated Property
Tfus	324.94	K	Relay (1.0) Calculated Property
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.97; 556.57]	J/mol×K	[597.69; 757.54]
Cp,gas	496.97	J/mol×K	597.69	Joback Calculated Property
Cp,gas	508.40	J/mol×K	624.33	Joback Calculated Property
Cp,gas	519.20	J/mol×K	650.97	Joback Calculated Property
Cp,gas	529.39	J/mol×K	677.62	Joback Calculated Property
Cp,gas	539.00	J/mol×K	704.26	Joback Calculated Property
Cp,gas	548.05	J/mol×K	730.90	Joback Calculated Property
Cp,gas	556.57	J/mol×K	757.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Amino-1-hexanol, N,O-bis(trifluoroacetyl)-.

Sources

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

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