Chemical Properties of 3-Amino-1-propanol, N,O-di(trifluoroacetyl)-

InChI

InChI=1S/C7H7F6NO3/c8-6(9,10)4(15)14-2-1-3-17-5(16)7(11,12)13/h1-3H2,(H,14,15)

InChI Key

KMHISLALRBUFCH-UHFFFAOYSA-N

Formula

C7H7F6NO3

SMILES

O=C(NCCCOC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

267.13

• 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°	-1428.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1685.88	kJ/mol	Joback Calculated Property
ΔfusH°	27.02	kJ/mol	Joback Calculated Property
ΔvapH°	46.02	kJ/mol	Joback Calculated Property
log10WS	-1.90		Crippen Calculated Property
logPoct/wat	1.161		Crippen Calculated Property
McVol	139.100	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	Joback Calculated Property
Inp	[1059.00; 1059.00]
Inp	1059.00		NIST
Inp	1059.00		NIST
Tboil	529.05	K	Joback Calculated Property
Tc	689.90	K	Joback Calculated Property
Tfus	351.78	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.78; 405.95]	J/mol×K	[529.05; 689.90]
Cp,gas	356.78	J/mol×K	529.05	Joback Calculated Property
Cp,gas	366.30	J/mol×K	555.86	Joback Calculated Property
Cp,gas	375.25	J/mol×K	582.67	Joback Calculated Property
Cp,gas	383.68	J/mol×K	609.47	Joback Calculated Property
Cp,gas	391.58	J/mol×K	636.28	Joback Calculated Property
Cp,gas	399.00	J/mol×K	663.09	Joback Calculated Property
Cp,gas	405.95	J/mol×K	689.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Amino-1-propanol, N,O-di(trifluoroacetyl)-.

Sources

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

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