Chemical Properties of 1-Nonen-3-ol (CAS 21964-44-3)

InChI

InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3

InChI Key

DWUPJMHAPOQKGJ-UHFFFAOYSA-N

Formula

C9H18O

SMILES

C=CC(O)CCCCCC

Molecular Weight¹

142.24

CAS

21964-44-3

Other Names

• 1-Nonene-3-ol
• 1-Vinylheptanol
• 3-Hydroxy-1-nonene
• Hexylvinylcarbinol
• NSC 102782
• Non-1-en-3-ol
• Nonene-1-ol-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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	0.6399		Relay (1.0) Calculated Property
ΔfG°	-26.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.35	kJ/mol	Joback Calculated Property
ΔvapH°	65.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
log10WS	-2.19		Relay (1.0) Calculated Property
logPoct/wat	2.504		Crippen Calculated Property
McVol	139.240	ml/mol	McGowan Calculated Property
Pc	2657.03	kPa	Joback Calculated Property
Inp	[1058.00; 1114.00]
Inp	1064.00		NIST
Inp	1088.00		NIST
Inp	1072.00		NIST
Inp	1058.00		NIST
Inp	1058.00		NIST
Inp	1064.00		NIST
Inp	1079.00		NIST
Inp	1066.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1066.00		NIST
Inp	1090.00		NIST
Inp	1068.00		NIST
Inp	1081.00		NIST
Inp	1078.00		NIST
Inp	1070.00		NIST
Inp	1072.00		NIST
Inp	1088.00		NIST
Inp	1081.00		NIST
I	[1525.00; 1561.00]
I	1561.00		NIST
I	1525.00		NIST
I	1525.00		NIST
I	1555.00		NIST
I	1554.00		NIST
I	1560.00		NIST
I	1561.00		NIST
I	1560.00		NIST
Tboil	461.53	K	Relay (1.0) Calculated Property
Tc	640.46	K	Relay (1.0) Calculated Property
Tfus	256.06	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.78; 474.34]	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			-4.67500e+00
Coefficient B			8.78720e-01
Coefficient C			-5.22300e-04
Coefficient D			1.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.78	J/mol×K	273.00	Calculated Property
Cp,gas	246.25	J/mol×K	353.78	Calculated Property
Cp,gas	288.61	J/mol×K	434.56	Calculated Property
Cp,gas	326.23	J/mol×K	515.33	Calculated Property
Cp,gas	359.51	J/mol×K	596.11	Calculated Property
Cp,gas	388.84	J/mol×K	676.89	Calculated Property
Cp,gas	414.60	J/mol×K	757.67	Calculated Property
Cp,gas	437.17	J/mol×K	838.44	Calculated Property
Cp,gas	456.96	J/mol×K	919.22	Calculated Property
Cp,gas	474.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0825669; 0.0002182]	Pa×s	[235.25; 461.24]	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			-1.46095e+01
Coefficient B			2.85013e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			235.25
Temperature range, max.			461.24
η	0.0825669	Pa×s	235.25	Calculated Property
η	0.0256656	Pa×s	260.36	Calculated Property
η	0.0097987	Pa×s	285.47	Calculated Property
η	0.0043713	Pa×s	310.58	Calculated Property
η	0.0022003	Pa×s	335.69	Calculated Property
η	0.0012186	Pa×s	360.80	Calculated Property
η	0.0007289	Pa×s	385.91	Calculated Property
η	0.0004642	Pa×s	411.02	Calculated Property
η	0.0003114	Pa×s	436.13	Calculated Property
η	0.0002182	Pa×s	461.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[356.52; 534.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33664e+01
Coefficient B			-3.73766e+03
Coefficient C			-7.07400e+01
Temperature range, min.			356.52
Temperature range, max.			534.76
Pvap	1.33	kPa	356.52	Calculated Property
Pvap	3.11	kPa	376.32	Calculated Property
Pvap	6.55	kPa	396.13	Calculated Property
Pvap	12.66	kPa	415.93	Calculated Property
Pvap	22.79	kPa	435.74	Calculated Property
Pvap	38.60	kPa	455.54	Calculated Property
Pvap	62.09	kPa	475.35	Calculated Property
Pvap	95.55	kPa	495.15	Calculated Property
Pvap	141.50	kPa	514.96	Calculated Property
Pvap	202.64	kPa	534.76	Calculated Property

Similar Compounds

Find more compounds similar to 1-Nonen-3-ol.

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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