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
• CH2=CHC«equiv»CCH3
• Methyl vinylacetylene
• Pyrylen
• Pyrylene
• Vinylmethylacetylene

• 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).
• 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°	281.86	kJ/mol	Joback Calculated Property
ΔfH°gas	251.20	kJ/mol	Joback Calculated Property
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
ΔvapH°	28.21	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
log10WS	-1.56		Crippen Calculated Property
logPoct/wat	1.196		Crippen Calculated Property
McVol	68.410	ml/mol	McGowan Calculated Property
Pc	4468.24	kPa	Joback 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
Tc	512.78	K	Joback Calculated Property
Tfus	250.45	K	Joback Calculated Property
Vc	0.259	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[94.83; 130.34]	J/mol×K	[319.48; 512.78]
Cp,gas	94.83	J/mol×K	319.48	Joback Calculated Property
Cp,gas	101.40	J/mol×K	351.70	Joback Calculated Property
Cp,gas	107.70	J/mol×K	383.91	Joback Calculated Property
Cp,gas	113.73	J/mol×K	416.13	Joback Calculated Property
Cp,gas	119.51	J/mol×K	448.35	Joback Calculated Property
Cp,gas	125.04	J/mol×K	480.57	Joback Calculated Property
Cp,gas	130.34	J/mol×K	512.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[240.64; 355.61]	The Yaw...
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

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.