Chemical Properties of 4-Pentyn-1-ol (CAS 5390-04-5)

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2

InChI Key

CRWVOXFUXPYTRK-UHFFFAOYSA-N

Formula

C5H8O

SMILES

C#CCCCO

Molecular Weight¹

84.12

CAS

5390-04-5

Other Names

• 1-Pentyn-5-ol
• pent-4-yn-1-ol

• 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).
• 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 : 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°	77.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-6.86	kJ/mol	Joback Calculated Property
ΔfusH°	15.77	kJ/mol	Joback Calculated Property
ΔvapH°	43.26	kJ/mol	Joback Calculated Property
log10WS	-0.97		Crippen Calculated Property
logPoct/wat	0.392		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	4704.19	kPa	Joback Calculated Property
I	[1333.00; 1333.00]
I	1333.00		NIST
I	1333.00		NIST
Tboil	[427.00; 427.20]	K
Tboil	427.00	K	NIST
Tboil	427.20	K	NIST
Tc	568.78	K	Joback Calculated Property
Tfus	253.90	K	Joback Calculated Property
Vc	0.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.02; 180.94]	J/mol×K	[396.10; 568.78]
Cp,gas	145.02	J/mol×K	396.10	Joback Calculated Property
Cp,gas	151.70	J/mol×K	424.88	Joback Calculated Property
Cp,gas	158.09	J/mol×K	453.66	Joback Calculated Property
Cp,gas	164.20	J/mol×K	482.44	Joback Calculated Property
Cp,gas	170.04	J/mol×K	511.22	Joback Calculated Property
Cp,gas	175.61	J/mol×K	540.00	Joback Calculated Property
Cp,gas	180.94	J/mol×K	568.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.30; 204.36]	kPa	[328.15; 450.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64462e+01
Coefficient B			-4.34252e+03
Coefficient C			-5.98560e+01
Temperature range, min.			328.15
Temperature range, max.			450.15
Pvap	1.30	kPa	328.15	Calculated Property
Pvap	2.83	kPa	341.71	Calculated Property
Pvap	5.73	kPa	355.26	Calculated Property
Pvap	10.92	kPa	368.82	Calculated Property
Pvap	19.72	kPa	382.37	Calculated Property
Pvap	33.95	kPa	395.93	Calculated Property
Pvap	56.02	kPa	409.48	Calculated Property
Pvap	89.06	kPa	423.04	Calculated Property
Pvap	136.94	kPa	436.59	Calculated Property
Pvap	204.36	kPa	450.15	Calculated Property

Similar Compounds

Find more compounds similar to 4-Pentyn-1-ol.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.