Chemical Properties of 2-Nonyn-1-ol (CAS 5921-73-3)

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-6,9H2,1H3

InChI Key

XERDOEKKHDALKJ-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CCCCCCC#CCO

Molecular Weight¹

140.22

CAS

5921-73-3

Other Names

• non-2-yn-1-ol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	-5614.10	kJ/mol	NIST
ΔfG°	90.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-109.02	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-214.10; 265.00]	kJ/mol
ΔfH°liquid	-214.10 ± 5.00	kJ/mol	NIST
ΔfH°liquid	265.00	kJ/mol	NIST
ΔfusH°	26.28	kJ/mol	Joback Calculated Property
ΔvapH°	54.46	kJ/mol	Joback Calculated Property
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	1.953		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2986.06	kPa	Joback Calculated Property
Tboil	506.50	K	Joback Calculated Property
Tc	684.34	K	Joback Calculated Property
Tfus	358.11	K	Joback Calculated Property
Vc	0.520	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.24; 363.94]	J/mol×K	[506.50; 684.34]
Cp,gas	301.24	J/mol×K	506.50	Joback Calculated Property
Cp,gas	312.82	J/mol×K	536.14	Joback Calculated Property
Cp,gas	323.94	J/mol×K	565.78	Joback Calculated Property
Cp,gas	334.59	J/mol×K	595.42	Joback Calculated Property
Cp,gas	344.80	J/mol×K	625.06	Joback Calculated Property
Cp,gas	354.58	J/mol×K	654.70	Joback Calculated Property
Cp,gas	363.94	J/mol×K	684.34	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[382.20; 383.00]	K	[1.50; 1.50]
Tboilr	383.00 ± 1.00	K	1.50	NIST
Tboilr	382.20	K	1.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.35; 202.41]	kPa	[387.15; 526.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63785e+01
Coefficient B			-4.93670e+03
Coefficient C			-8.01240e+01
Temperature range, min.			387.15
Temperature range, max.			526.15
Pvap	1.35	kPa	387.15	Calculated Property
Pvap	2.91	kPa	402.59	Calculated Property
Pvap	5.87	kPa	418.04	Calculated Property
Pvap	11.11	kPa	433.48	Calculated Property
Pvap	19.94	kPa	448.93	Calculated Property
Pvap	34.15	kPa	464.37	Calculated Property
Pvap	56.11	kPa	479.82	Calculated Property
Pvap	88.83	kPa	495.26	Calculated Property
Pvap	136.08	kPa	510.71	Calculated Property
Pvap	202.41	kPa	526.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonyn-1-ol.

Sources

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

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