Chemical Properties of 4-Amino-1-butanol (CAS 13325-10-5)

InChI

InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2

InChI Key

BLFRQYKZFKYQLO-UHFFFAOYSA-N

Formula

C4H11NO

SMILES

NCCCCO

Molecular Weight¹

89.14

CAS

13325-10-5

Other Names

• 1-butanamine, 4-hydroxy-
• 1-butanol, 4-amino-
• 4-Aminobutanol
• 4-Aminobutanol-1
• 4-hdyroxybutylamine
• 4-hydroxybutylamine
• H2NCH2(CH2)2CH2OH
• NH2(CH2)4OH

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6640		Relay (1.0) Calculated Property
PAff	984.50	kJ/mol	NIST
BasG	932.10	kJ/mol	NIST
ΔfG°	-87.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.40	kJ/mol	Joback Calculated Property
ΔvapH°	64.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	0.64		Relay (1.0) Calculated Property
logPoct/wat	-0.282		Crippen Calculated Property
McVol	83.070	ml/mol	McGowan Calculated Property
Pc	4736.62	kPa	Joback Calculated Property
Inp	[904.00; 998.00]
Inp	904.00		NIST
Inp	998.00		NIST
Inp	904.00		NIST
I	1687.00		NIST
Tboil	[476.00; 479.20]	K
Tboil	479.20	K	NIST
Tboil	479.00	K	NIST
Tboil	476.00 ± 6.00	K	NIST
Tc	691.95	K	Relay (1.0) Calculated Property
Tfus	314.43	K	Relay (1.0) Calculated Property
Vc	0.289	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[398.00; 398.20]	K	[4.50; 4.50]
Tboilr	398.20	K	4.50	NIST
Tboilr	398.00	K	4.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.21; 280.33]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.10340e+01
Coefficient B			4.79700e-01
Coefficient C			-2.67600e-04
Coefficient D			5.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.21	J/mol×K	273.00	Calculated Property
Cp,gas	149.78	J/mol×K	353.78	Calculated Property
Cp,gas	173.65	J/mol×K	434.56	Calculated Property
Cp,gas	195.00	J/mol×K	515.33	Calculated Property
Cp,gas	214.01	J/mol×K	596.11	Calculated Property
Cp,gas	230.87	J/mol×K	676.89	Calculated Property
Cp,gas	245.75	J/mol×K	757.67	Calculated Property
Cp,gas	258.83	J/mol×K	838.44	Calculated Property
Cp,gas	270.30	J/mol×K	919.22	Calculated Property
Cp,gas	280.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Amino-1-butanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Equilibrium solubility of carbon dioxide in aqueous solutions of 3-amino-1-propanol, 4-amino-1-butanol and 5-amino-1-pentanol at low partial pressures
• Joback Method
• McGowan Method
• NIST Webbook

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