Chemical Properties of 1-Propanol, 2-amino-, (.+/-.)- (CAS 6168-72-5)

InChI

InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3

InChI Key

BKMMTJMQCTUHRP-UHFFFAOYSA-N

Formula

C3H9NO

SMILES

CC(N)CO

Molecular Weight¹

75.11

CAS

6168-72-5

Other Names

• (.+/-.)-2-Amino-1-propanol
• (.+/-.)-Alaninol
• 1-Hydroxy-2-aminopropane
• 1-Methyl-2-hydroxyethylamine
• 1-Propanol, 2-amino-
• 1-Propanol, 2-amino-, DL-
• 2-Amino-1-propanol
• 2-Amino-2-methylethanol
• 2-Aminopropanol
• Alaninol
• DL-2-Amino-1-propanol
• DL-2-Aminopropanol
• DL-2-aminopropan-1-ol
• DL-Alaninol
• NSC 1360

• 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).
• P_vap : Vapor pressure (kPa).
• 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	0.5986		Relay (1.0) Calculated Property
ΔfG°	-98.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.29	kJ/mol	Joback Calculated Property
ΔvapH°	52.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	0.76		Relay (1.0) Calculated Property
logPoct/wat	-0.674		Crippen Calculated Property
McVol	68.980	ml/mol	McGowan Calculated Property
Pc	5495.11	kPa	Joback Calculated Property
Tboil	[447.70; 448.00]	K
Tboil	447.70	K	NIST
Tboil	448.00	K	NIST
Tc	617.83	K	Relay (1.0) Calculated Property
Tfus	298.32	K	Relay (1.0) Calculated Property
Vc	0.240	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.31; 178.78]	J/mol×K	[432.31; 613.40]
Cp,gas	142.31	J/mol×K	432.31	Joback Calculated Property
Cp,gas	149.06	J/mol×K	462.49	Joback Calculated Property
Cp,gas	155.54	J/mol×K	492.67	Joback Calculated Property
Cp,gas	161.74	J/mol×K	522.85	Joback Calculated Property
Cp,gas	167.68	J/mol×K	553.03	Joback Calculated Property
Cp,gas	173.36	J/mol×K	583.21	Joback Calculated Property
Cp,gas	178.78	J/mol×K	613.40	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[342.72; 420.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.33125e+01
Coefficient B			-6.38392e+03
Coefficient C			-6.54580e+01
Temperature range, min.			342.72
Temperature range, max.			420.10
Pvap	1.33	kPa	342.72	Calculated Property
Pvap	2.66	kPa	351.32	Calculated Property
Pvap	5.11	kPa	359.92	Calculated Property
Pvap	9.46	kPa	368.51	Calculated Property
Pvap	16.92	kPa	377.11	Calculated Property
Pvap	29.32	kPa	385.71	Calculated Property
Pvap	49.38	kPa	394.31	Calculated Property
Pvap	80.97	kPa	402.90	Calculated Property
Pvap	129.56	kPa	411.50	Calculated Property
Pvap	202.64	kPa	420.10	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 2-amino-, (.+/-.)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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