Chemical Properties of 3-Nonanol (CAS 624-51-1)

InChI

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

InChI Key

GYSCXPVAKHVAAY-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCCCC(O)CC

Molecular Weight¹

144.25

CAS

624-51-1

Other Names

• Hexylethylcarbinol
• nonan-3-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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	0.6681		Relay (1.0) Calculated Property
Cp,liquid	373.62	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	-399.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.63	kJ/mol	Joback Calculated Property
ΔvapH°	70.90 ± 0.30	kJ/mol	NIST
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-2.58		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
ρc	[249.56; 249.56]	kg/m3
ρc	249.56	kg/m3	NIST
ρc	249.56 ± 5.77	kg/m3	NIST
Inp	[1069.00; 1099.00]
Inp	1099.00		NIST
Inp	1069.00		NIST
Inp	1090.00		NIST
Inp	1099.00		NIST
I	[1459.00; 1496.00]
I	1459.00		NIST
I	1461.00		NIST
I	1493.00		NIST
I	1489.00		NIST
I	1496.00		NIST
I	1496.00		NIST
I	1493.00		NIST
Tboil	467.90 ± 3.00	K	NIST
Tc	[648.00; 648.00]	K
Tc	648.00 ± 1.00	K	NIST
Tc	648.00	K	NIST
Tc	648.00 ± 0.30	K	NIST
Tfus	254.16	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[57.10; 75.50]	kJ/mol	[313.00; 417.00]
ΔvapH	75.50	kJ/mol	313.00	NIST
ΔvapH	57.10	kJ/mol	417.00	NIST

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	[0.0878509; 0.0002472]	Pa×s	[237.01; 453.60]	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.			237.01
Temperature range, max.			453.60
η	0.0878509	Pa×s	237.01	Calculated Property
η	0.0282705	Pa×s	261.08	Calculated Property
η	0.0110164	Pa×s	285.14	Calculated Property
η	0.0049711	Pa×s	309.21	Calculated Property
η	0.0025164	Pa×s	333.27	Calculated Property
η	0.0013961	Pa×s	357.34	Calculated Property
η	0.0008344	Pa×s	381.40	Calculated Property
η	0.0005301	Pa×s	405.47	Calculated Property
η	0.0003543	Pa×s	429.53	Calculated Property
η	0.0002472	Pa×s	453.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[356.53; 493.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69298e+01
Coefficient B			-5.26910e+03
Coefficient C			-3.99180e+01
Temperature range, min.			356.53
Temperature range, max.			493.43
Pvap	1.33	kPa	356.53	Calculated Property
Pvap	2.86	kPa	371.74	Calculated Property
Pvap	5.74	kPa	386.95	Calculated Property
Pvap	10.85	kPa	402.16	Calculated Property
Pvap	19.50	kPa	417.37	Calculated Property
Pvap	33.48	kPa	432.59	Calculated Property
Pvap	55.23	kPa	447.80	Calculated Property
Pvap	87.88	kPa	463.01	Calculated Property
Pvap	135.39	kPa	478.22	Calculated Property
Pvap	202.63	kPa	493.43	Calculated Property

Similar Compounds

Find more compounds similar to 3-Nonanol.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.