Chemical Properties of 5-Nonanol (CAS 623-93-8)

InChI

InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3

InChI Key

FCBBRODPXVPZAH-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCC(O)CCCC

Molecular Weight¹

144.25

CAS

623-93-8

Other Names

• Nonanol-(5)
• dibutylcarbinol
• nonan-5-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_p : 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	0.6677		Relay (1.0) Calculated Property
Cp,liquid	370.73	J/mol×K	Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
ΔfG°	-114.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-404.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.63	kJ/mol	Joback Calculated Property
ΔvapH°	71.40 ± 0.40	kJ/mol	NIST
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Ip	[1474.00; 1474.00]
Ip	1474.00		NIST
Ip	1474.00		NIST
Tboil	[466.15; 469.00]	K
Tboil	468.24 ± 0.20	K	NIST
Tboil	469.00 ± 4.00	K	NIST
Tboil	467.15 ± 3.00	K	NIST
Tboil	466.15 ± 3.00	K	NIST
Tc	641.60	K	Relay (1.0) Calculated Property
Tfus	[278.15; 278.75]	K
Tfus	278.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	278.75 ± 0.30	K	NIST
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.59; 502.86]	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			-1.68400e+00
Coefficient B			8.98740e-01
Coefficient C			-4.99400e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.59	J/mol×K	273.00	Calculated Property
Cp,gas	258.42	J/mol×K	353.78	Calculated Property
Cp,gas	303.20	J/mol×K	434.56	Calculated Property
Cp,gas	343.24	J/mol×K	515.33	Calculated Property
Cp,gas	378.89	J/mol×K	596.11	Calculated Property
Cp,gas	410.48	J/mol×K	676.89	Calculated Property
Cp,gas	438.33	J/mol×K	757.67	Calculated Property
Cp,gas	462.79	J/mol×K	838.44	Calculated Property
Cp,gas	484.19	J/mol×K	919.22	Calculated Property
Cp,gas	502.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0140844; 0.0002212]	Pa×s	[278.45; 461.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47324e+01
Coefficient B			2.91529e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			278.45
Temperature range, max.			461.58
η	0.0140844	Pa×s	278.45	Calculated Property
η	0.0069039	Pa×s	298.80	Calculated Property
η	0.0037062	Pa×s	319.15	Calculated Property
η	0.0021437	Pa×s	339.49	Calculated Property
η	0.0013191	Pa×s	359.84	Calculated Property
η	0.0008550	Pa×s	380.19	Calculated Property
η	0.0005791	Pa×s	400.54	Calculated Property
η	0.0004073	Pa×s	420.89	Calculated Property
η	0.0002960	Pa×s	441.23	Calculated Property
η	0.0002212	Pa×s	461.58	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[366.87; 492.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52259e+01
Coefficient B			-3.70906e+03
Coefficient C			-1.18579e+02
Temperature range, min.			366.87
Temperature range, max.			492.69
Pvap	1.33	kPa	366.87	Calculated Property
Pvap	2.96	kPa	380.85	Calculated Property
Pvap	6.05	kPa	394.83	Calculated Property
Pvap	11.54	kPa	408.81	Calculated Property
Pvap	20.77	kPa	422.79	Calculated Property
Pvap	35.49	kPa	436.77	Calculated Property
Pvap	57.96	kPa	450.75	Calculated Property
Pvap	90.99	kPa	464.73	Calculated Property
Pvap	137.93	kPa	478.71	Calculated Property
Pvap	202.67	kPa	492.69	Calculated Property

Similar Compounds

Find more compounds similar to 5-Nonanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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