Chemical Properties of 5-amino-1-pentanol, N,O-bis(trifluoroacetyl)-

InChI

InChI=1S/C9H11F6NO3/c10-8(11,12)6(17)16-4-2-1-3-5-19-7(18)9(13,14)15/h1-5H2,(H,16,17)

InChI Key

UWXZRWAWQZRDIT-UHFFFAOYSA-N

Formula

C9H11F6NO3

SMILES

O=C(NCCCCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

295.18

• 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	0.6425		Relay (1.0) Calculated Property
ΔfG°	-1411.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1813.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.20	kJ/mol	Joback Calculated Property
ΔvapH°	68.35	kJ/mol	Relay (1.0) Calculated Property
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-2.49		Relay (1.0) Calculated Property
logPoct/wat	1.941		Crippen Calculated Property
McVol	167.280	ml/mol	McGowan Calculated Property
Pc	2081.22	kPa	Joback Calculated Property
Inp	[1265.00; 1265.00]
Inp	1265.00		NIST
Inp	1265.00		NIST
Tboil	467.91	K	Relay (1.0) Calculated Property
Tc	625.83	K	Relay (1.0) Calculated Property
Tfus	319.75	K	Relay (1.0) Calculated Property
Vc	0.633	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[448.65; 505.07]	J/mol×K	[574.81; 734.75]
Cp,gas	448.65	J/mol×K	574.81	Joback Calculated Property
Cp,gas	459.49	J/mol×K	601.47	Joback Calculated Property
Cp,gas	469.73	J/mol×K	628.12	Joback Calculated Property
Cp,gas	479.38	J/mol×K	654.78	Joback Calculated Property
Cp,gas	488.47	J/mol×K	681.44	Joback Calculated Property
Cp,gas	497.02	J/mol×K	708.09	Joback Calculated Property
Cp,gas	505.07	J/mol×K	734.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-amino-1-pentanol, N,O-bis(trifluoroacetyl)-.

Sources

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

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