Chemical Properties of 1-Penten-3-yne (CAS 646-05-9)

InChI

InChI=1S/C5H6/c1-3-5-4-2/h3H,1H2,2H3

InChI Key

FILUFGAZMJGNEN-UHFFFAOYSA-N

Formula

C5H6

SMILES

C=CC#CC

Molecular Weight¹

66.10

CAS

646-05-9

Other Names

• 1-Pentene-3-yne
• CH2=CHC«equiv»CCH3
• Methyl vinylacetylene
• Pyrylen
• Pyrylene
• Vinylmethylacetylene

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
IE	[8.10; 9.40]	eV
IE	9.00 ± 0.01	eV	NIST
IE	9.00 ± 0.01	eV	NIST
IE	Outlier 8.10	eV	NIST
IE	9.40	eV	NIST
IE	9.10 ± 0.10	eV	NIST
IE	9.06 ± 0.03	eV	NIST
logPoct/wat	1.196		Crippen Calculated Property
McVol	68.410	ml/mol	McGowan Calculated Property
Tboil	[332.40; 332.70]	K
Tboil	332.70	K	NIST
Tboil	332.40 ± 1.00	K	NIST
Tboil	332.40 ± 3.00	K	NIST

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[94.87; 130.39]	J/mol×K	[319.68; 513.11]
Cp,gas	94.87	J/mol×K	319.68	Joback Calculated Property
Cp,gas	101.44	J/mol×K	351.92	Joback Calculated Property
Cp,gas	107.74	J/mol×K	384.16	Joback Calculated Property
Cp,gas	113.78	J/mol×K	416.39	Joback Calculated Property
Cp,gas	119.56	J/mol×K	448.63	Joback Calculated Property
Cp,gas	125.09	J/mol×K	480.87	Joback Calculated Property
Cp,gas	130.39	J/mol×K	513.11	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[240.64; 355.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43681e+01
Coefficient B			-2.91825e+03
Coefficient C			-3.33850e+01
Temperature range, min.			240.64
Temperature range, max.			355.61
Pvap	1.33	kPa	240.64	Calculated Property
Pvap	3.02	kPa	253.41	Calculated Property
Pvap	6.25	kPa	266.19	Calculated Property
Pvap	12.00	kPa	278.96	Calculated Property
Pvap	21.60	kPa	291.74	Calculated Property
Pvap	36.77	kPa	304.51	Calculated Property
Pvap	59.68	kPa	317.29	Calculated Property
Pvap	92.91	kPa	330.06	Calculated Property
Pvap	139.45	kPa	342.84	Calculated Property
Pvap	202.66	kPa	355.61	Calculated Property

Similar Compounds

Find more compounds similar to 1-Penten-3-yne.

Sources

• 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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