Chemical Properties of 1-Hexanol, 6-amino- (CAS 4048-33-3)

InChI

InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2

InChI Key

SUTWPJHCRAITLU-UHFFFAOYSA-N

Formula

C6H15NO

SMILES

NCCCCCCO

Molecular Weight¹

117.19

CAS

4048-33-3

Other Names

• 1-Amino-6-hexanol
• 6-Amino-1-hexanol
• 6-Aminohexanol
• 6-Aminohexyl alcohol
• 6-Hydroxyhexylamine
• 6-aminohexan-1-ol
• Amidohexylalkohol
• Aminohexyl alcohol
• H2NCH2(CH2)4CH2OH
• Hexanol, 6-amino-
• NH2(CH2)6OH
• NSC 91538

• 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).
• 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).
• 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
PAff	969.00	kJ/mol	NIST
BasG	915.70	kJ/mol	NIST
ΔfG°	-70.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-285.61	kJ/mol	Joback Calculated Property
ΔfusH°	20.58	kJ/mol	Joback Calculated Property
ΔvapH°	56.27	kJ/mol	Joback Calculated Property
log10WS	-1.03		Crippen Calculated Property
logPoct/wat	0.498		Crippen Calculated Property
McVol	111.250	ml/mol	McGowan Calculated Property
Pc	3695.46	kPa	Joback Calculated Property
Inp	[1094.00; 1156.00]
Inp	1094.00		NIST
Inp	1156.00		NIST
Inp	1094.00		NIST
I	[1902.00; 1902.00]
I	1902.00		NIST
I	1902.00		NIST
Tboil	501.39	K	Joback Calculated Property
Tc	674.34	K	Joback Calculated Property
Tfus	330.00 ± 1.00	K	NIST
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.58; 314.50]	J/mol×K	[501.39; 674.34]
Cp,gas	260.58	J/mol×K	501.39	Joback Calculated Property
Cp,gas	270.56	J/mol×K	530.21	Joback Calculated Property
Cp,gas	280.12	J/mol×K	559.04	Joback Calculated Property
Cp,gas	289.29	J/mol×K	587.86	Joback Calculated Property
Cp,gas	298.06	J/mol×K	616.69	Joback Calculated Property
Cp,gas	306.46	J/mol×K	645.51	Joback Calculated Property
Cp,gas	314.50	J/mol×K	674.34	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[410.50; 410.70]	K	[4.00; 4.00]
Tboilr	410.70	K	4.00	NIST
Tboilr	410.50 ± 2.50	K	4.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[389.92; 515.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.76652e+01
Coefficient B			-5.35334e+03
Coefficient C			-8.18600e+01
Temperature range, min.			389.92
Temperature range, max.			515.20
Pvap	1.33	kPa	389.92	Calculated Property
Pvap	2.83	kPa	403.84	Calculated Property
Pvap	5.63	kPa	417.76	Calculated Property
Pvap	10.61	kPa	431.68	Calculated Property
Pvap	19.06	kPa	445.60	Calculated Property
Pvap	32.79	kPa	459.52	Calculated Property
Pvap	54.27	kPa	473.44	Calculated Property
Pvap	86.78	kPa	487.36	Calculated Property
Pvap	134.49	kPa	501.28	Calculated Property
Pvap	202.65	kPa	515.20	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexanol, 6-amino-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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