Chemical Properties of 3-Butyn-2-ol (CAS 2028-63-9)

InChI

InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

InChI Key

GKPOMITUDGXOSB-UHFFFAOYSA-N

Formula

C4H6O

SMILES

C#CC(C)O

Molecular Weight¹

70.09

CAS

2028-63-9

Other Names

• 1-Butyn-3-ol
• 1-Ethynylethanol
• 1-Methyl-2-propynyl alcohol
• 1-Methylpropargyl alcohol
• 3-Butyne-2-ol
• 3-Hydroxy-1-butyne
• HC«equiv»CCH(CH3)OH
• HC«equiv»CCH(CH3)OH
• Methylethynylcarbinol
• but-3-yn-2-ol
• «alpha»-Methylpropargyl alcohol
• «alpha»-Methylpropargyl alcohol

• 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).
• I_np : Non-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
ΔfG°	66.61	kJ/mol	Joback Calculated Property
ΔfH°gas	8.50	kJ/mol	Joback Calculated Property
ΔfusH°	9.66	kJ/mol	Joback Calculated Property
ΔvapH°	40.65	kJ/mol	Joback Calculated Property
IE	[10.15; 10.41]	eV
IE	10.15	eV	NIST
IE	10.41	eV	NIST
log10WS	-0.67		Crippen Calculated Property
logPoct/wat	4.000e-04		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	5454.60	kPa	Joback Calculated Property
Inp	[608.00; 608.00]
Inp	608.00		NIST
Inp	608.00		NIST
Tboil	381.00	K	NIST
Tc	550.21	K	Joback Calculated Property
Tfus	227.63	K	Joback Calculated Property
Vc	0.234	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.88; 141.18]	J/mol×K	[372.78; 550.21]
Cp,gas	111.88	J/mol×K	372.78	Joback Calculated Property
Cp,gas	117.36	J/mol×K	402.35	Joback Calculated Property
Cp,gas	122.60	J/mol×K	431.92	Joback Calculated Property
Cp,gas	127.58	J/mol×K	461.49	Joback Calculated Property
Cp,gas	132.34	J/mol×K	491.06	Joback Calculated Property
Cp,gas	136.86	J/mol×K	520.64	Joback Calculated Property
Cp,gas	141.18	J/mol×K	550.21	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.36; 205.63]	kPa	[292.15; 402.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65003e+01
Coefficient B			-3.96776e+03
Coefficient C			-4.70680e+01
Temperature range, min.			292.15
Temperature range, max.			402.15
Pvap	1.36	kPa	292.15	Calculated Property
Pvap	2.94	kPa	304.37	Calculated Property
Pvap	5.92	kPa	316.59	Calculated Property
Pvap	11.22	kPa	328.82	Calculated Property
Pvap	20.15	kPa	341.04	Calculated Property
Pvap	34.53	kPa	353.26	Calculated Property
Pvap	56.79	kPa	365.48	Calculated Property
Pvap	90.01	kPa	377.71	Calculated Property
Pvap	138.06	kPa	389.93	Calculated Property
Pvap	205.63	kPa	402.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Butyn-2-ol.

Sources

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

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