Chemical Properties of 3-Nonyn-1-ol (CAS 31333-13-8)

InChI

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

InChI Key

TZZVRLFUTNYDEG-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CCCCCC#CCCO

Molecular Weight¹

140.22

CAS

31333-13-8

Other Names

• Non-3-yn-1-ol

• ω : Acentric Factor.
• 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).
• 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).
• 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

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[384.50; 384.70]	K	[2.70; 2.70]
Tboilr	384.70	K	2.70	NIST
Tboilr	384.50 ± 0.50	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.01; 441.20]	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			1.75560e+01
Coefficient B			7.43020e-01
Coefficient C			-4.04060e-04
Coefficient D			8.46800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.01	J/mol×K	273.00	Calculated Property
Cp,gas	233.60	J/mol×K	353.78	Calculated Property
Cp,gas	271.09	J/mol×K	434.56	Calculated Property
Cp,gas	304.74	J/mol×K	515.33	Calculated Property
Cp,gas	334.83	J/mol×K	596.11	Calculated Property
Cp,gas	361.63	J/mol×K	676.89	Calculated Property
Cp,gas	385.39	J/mol×K	757.67	Calculated Property
Cp,gas	406.40	J/mol×K	838.44	Calculated Property
Cp,gas	424.91	J/mol×K	919.22	Calculated Property
Cp,gas	441.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.35; 202.41]	kPa	[387.15; 526.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 3-Nonyn-1-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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