Chemical Properties of 3-Amino-1-propanol, N,O-diacetyl-

InChI

InChI=1S/C7H13NO3/c1-6(9)8-4-3-5-11-7(2)10/h3-5H2,1-2H3,(H,8,9)

InChI Key

DPWZYRHWCCZPDJ-UHFFFAOYSA-N

Formula

C7H13NO3

SMILES

CC(=O)NCCCOC(C)=O

Molecular Weight¹

159.18

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.5982		Relay (1.0) Calculated Property
ΔfH°gas	-659.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.95	kJ/mol	Joback Calculated Property
ΔvapH°	71.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	0.076		Crippen Calculated Property
McVol	128.480	ml/mol	McGowan Calculated Property
Pc	3055.79	kPa	Joback Calculated Property
Inp	[1346.60; 1346.60]
Inp	1346.60		NIST
Inp	1346.60		NIST
Tboil	516.74	K	Relay (1.0) Calculated Property
Tc	698.88	K	Relay (1.0) Calculated Property
Tfus	297.78	K	Relay (1.0) Calculated Property
Vc	0.488	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.47; 356.28]	J/mol×K	[522.02; 708.03]
Cp,gas	296.47	J/mol×K	522.02	Joback Calculated Property
Cp,gas	307.71	J/mol×K	553.02	Joback Calculated Property
Cp,gas	318.43	J/mol×K	584.02	Joback Calculated Property
Cp,gas	328.64	J/mol×K	615.03	Joback Calculated Property
Cp,gas	338.35	J/mol×K	646.03	Joback Calculated Property
Cp,gas	347.57	J/mol×K	677.03	Joback Calculated Property
Cp,gas	356.28	J/mol×K	708.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Amino-1-propanol, N,O-diacetyl-.

Sources

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

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