Chemical Properties of 3-Penten-1-yne, (Z)- (CAS 1574-40-9)

InChI

InChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3/b5-4-

InChI Key

XAJOPMVSQIBJCW-PLNGDYQASA-N

Formula

C5H6

SMILES

C#CC=CC

Molecular Weight¹

66.10

CAS

1574-40-9

Other Names

• (3Z)-3-Penten-1-yne
• (Z)-CH3CH=CHC«equiv»CH
• 3-Pentene-1-yne, (Z)-
• Pent-1-yn-3-ene, (Z)-
• Z-3-Penten-1-yne
• cis-2-Penten-4-yne
• cis-3-Penten-1-yne
• cis-Penten-1-yne

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	258.00	kJ/mol	NIST
ΔfusH°	11.88	kJ/mol	Joback Calculated Property
ΔvapH°	27.90	kJ/mol	Relay (1.0) Calculated Property
IE	[9.11; 9.20]	eV
IE	9.11 ± 0.01	eV	NIST
IE	9.20 ± 0.10	eV	NIST
IE	9.17 ± 0.03	eV	NIST
logPoct/wat	1.196		Crippen Calculated Property
McVol	68.410	ml/mol	McGowan Calculated Property
Tboil	317.15 ± 1.50	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[94.90; 131.51]	J/mol×K	[308.08; 492.89]
Cp,gas	94.90	J/mol×K	308.08	Joback Calculated Property
Cp,gas	101.94	J/mol×K	338.88	Joback Calculated Property
Cp,gas	108.58	J/mol×K	369.68	Joback Calculated Property
Cp,gas	114.84	J/mol×K	400.48	Joback Calculated Property
Cp,gas	120.73	J/mol×K	431.29	Joback Calculated Property
Cp,gas	126.28	J/mol×K	462.09	Joback Calculated Property
Cp,gas	131.51	J/mol×K	492.89	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[234.20; 337.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52296e+01
Coefficient B			-3.05885e+03
Coefficient C			-2.94840e+01
Temperature range, min.			234.20
Temperature range, max.			337.90
Pvap	1.33	kPa	234.20	Calculated Property
Pvap	2.96	kPa	245.72	Calculated Property
Pvap	6.05	kPa	257.24	Calculated Property
Pvap	11.54	kPa	268.77	Calculated Property
Pvap	20.77	kPa	280.29	Calculated Property
Pvap	35.49	kPa	291.81	Calculated Property
Pvap	57.96	kPa	303.33	Calculated Property
Pvap	90.99	kPa	314.86	Calculated Property
Pvap	137.92	kPa	326.38	Calculated Property
Pvap	202.68	kPa	337.90	Calculated Property

Similar Compounds

Find more compounds similar to 3-Penten-1-yne, (Z)-.

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

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.