Chemical Properties of 3-Pentyn-2-ol (CAS ---)

InChI

InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3

InChI Key

HJFRLXPEVRXBQZ-UHFFFAOYSA-N

Formula

C5H8O

SMILES

CC#CC(C)O

Molecular Weight¹

84.12

CAS

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• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[106.84; 235.37]	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			1.95100e+01
Coefficient B			3.68940e-01
Coefficient C			-1.89660e-04
Coefficient D			3.65800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	106.84	J/mol×K	273.00	Calculated Property
Cp,gas	127.91	J/mol×K	353.78	Calculated Property
Cp,gas	147.02	J/mol×K	434.56	Calculated Property
Cp,gas	164.28	J/mol×K	515.33	Calculated Property
Cp,gas	179.79	J/mol×K	596.11	Calculated Property
Cp,gas	193.69	J/mol×K	676.89	Calculated Property
Cp,gas	206.08	J/mol×K	757.67	Calculated Property
Cp,gas	217.08	J/mol×K	838.44	Calculated Property
Cp,gas	226.80	J/mol×K	919.22	Calculated Property
Cp,gas	235.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.34; 203.26]	kPa	[305.15; 419.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64795e+01
Coefficient B			-4.10284e+03
Coefficient C			-5.16780e+01
Temperature range, min.			305.15
Temperature range, max.			419.15
Pvap	1.34	kPa	305.15	Calculated Property
Pvap	2.90	kPa	317.82	Calculated Property
Pvap	5.83	kPa	330.48	Calculated Property
Pvap	11.06	kPa	343.15	Calculated Property
Pvap	19.88	kPa	355.82	Calculated Property
Pvap	34.08	kPa	368.48	Calculated Property
Pvap	56.08	kPa	381.15	Calculated Property
Pvap	88.92	kPa	393.82	Calculated Property
Pvap	136.44	kPa	406.48	Calculated Property
Pvap	203.26	kPa	419.15	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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