Chemical Properties of 2-Butyn-1-ol (CAS 764-01-2)

InChI

InChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3

InChI Key

NEEDEQSZOUAJMU-UHFFFAOYSA-N

Formula

C4H6O

SMILES

CC#CCO

Molecular Weight¹

70.09

CAS

764-01-2

Other Names

• 2-Butyne-1-ol
• 2-Butynol
• 2-Butynyl alcohol
• But-2-yn-1-ol
• CH3C«equiv»CCH2OH
• CH3C«equiv»CCH2OH

• 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_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
ΔfG°	48.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-5.82	kJ/mol	Joback Calculated Property
ΔfusH°	13.33	kJ/mol	Joback Calculated Property
ΔvapH°	43.33	kJ/mol	Joback Calculated Property
IE	9.78	eV	NIST
log10WS	-0.56		Crippen Calculated Property
logPoct/wat	0.002		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	5486.97	kPa	Joback Calculated Property
Inp	[695.00; 695.00]
Inp	695.00		NIST
Inp	695.00		NIST
Tboil	[414.00; 415.70]	K
Tboil	415.70	K	NIST
Tboil	415.00	K	NIST
Tboil	414.00 ± 2.00	K	NIST
Tc	577.58	K	Joback Calculated Property
Tfus	301.76	K	Joback Calculated Property
Vc	0.240	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.41; 137.70]	J/mol×K	[392.10; 577.58]
Cp,gas	108.41	J/mol×K	392.10	Joback Calculated Property
Cp,gas	113.75	J/mol×K	423.01	Joback Calculated Property
Cp,gas	118.91	J/mol×K	453.93	Joback Calculated Property
Cp,gas	123.87	J/mol×K	484.84	Joback Calculated Property
Cp,gas	128.66	J/mol×K	515.75	Joback Calculated Property
Cp,gas	133.27	J/mol×K	546.67	Joback Calculated Property
Cp,gas	137.70	J/mol×K	577.58	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[325.70; 362.00]	K	[1.90; 13.30]
Tboilr	325.70	K	1.90	NIST
Tboilr	362.00	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.30; 203.40]	kPa	[319.15; 438.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64585e+01
Coefficient B			-4.25045e+03
Coefficient C			-5.67150e+01
Temperature range, min.			319.15
Temperature range, max.			438.15
Pvap	1.30	kPa	319.15	Calculated Property
Pvap	2.83	kPa	332.37	Calculated Property
Pvap	5.73	kPa	345.59	Calculated Property
Pvap	10.90	kPa	358.82	Calculated Property
Pvap	19.67	kPa	372.04	Calculated Property
Pvap	33.83	kPa	385.26	Calculated Property
Pvap	55.81	kPa	398.48	Calculated Property
Pvap	88.68	kPa	411.71	Calculated Property
Pvap	136.33	kPa	424.93	Calculated Property
Pvap	203.40	kPa	438.15	Calculated Property

Similar Compounds

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

Sources

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

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