Chemical Properties of 3-Hexyn-2-ol (CAS 109-50-2)

InChI

InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3

InChI Key

IFCAMPHNVKBSTF-UHFFFAOYSA-N

Formula

C6H10O

SMILES

CCC#CC(C)O

Molecular Weight¹

98.14

CAS

109-50-2

Other Names

• hex-3-yn-2-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).
• 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
ω	0.4625		Relay (... Calculated Property
ΔfG°	63.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-49.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.98	kJ/mol	Joback Calculated Property
ΔvapH°	60.00	kJ/mol	Relay (... Calculated Property
IE	9.84	eV	Relay (... Calculated Property
log10WS	0.18		Relay (... Calculated Property
logPoct/wat	0.781		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	4249.61	kPa	Joback Calculated Property
Inp	[796.00; 797.00]
Inp	796.00		NIST
Inp	797.00		NIST
Inp	796.00		NIST
Tboil	420.79	K	Relay (... Calculated Property
Tc	589.23	K	Relay (... Calculated Property
Tfus	219.85	K	Relay (... Calculated Property
Vc	0.336	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.90; 224.92]	J/mol×K	[437.42; 624.36]
Cp,gas	178.90	J/mol×K	437.42	Joback Calculated Property
Cp,gas	187.39	J/mol×K	468.58	Joback Calculated Property
Cp,gas	195.55	J/mol×K	499.73	Joback Calculated Property
Cp,gas	203.37	J/mol×K	530.89	Joback Calculated Property
Cp,gas	210.87	J/mol×K	562.04	Joback Calculated Property
Cp,gas	218.05	J/mol×K	593.20	Joback Calculated Property
Cp,gas	224.92	J/mol×K	624.36	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.31; 205.42]	kPa	[328.15; 450.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64464e+01
Coefficient B			-4.34111e+03
Coefficient C			-5.98080e+01
Temperature range, min.			328.15
Temperature range, max.			450.15
Pvap	1.31	kPa	328.15	Calculated Property
Pvap	2.85	kPa	341.71	Calculated Property
Pvap	5.77	kPa	355.26	Calculated Property
Pvap	11.00	kPa	368.82	Calculated Property
Pvap	19.85	kPa	382.37	Calculated Property
Pvap	34.16	kPa	395.93	Calculated Property
Pvap	56.36	kPa	409.48	Calculated Property
Pvap	89.57	kPa	423.04	Calculated Property
Pvap	137.68	kPa	436.59	Calculated Property
Pvap	205.42	kPa	450.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexyn-2-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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