Chemical Properties of 3-Penten-1-yne, (E)- (CAS 2004-69-5)

InChI

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

InChI Key

XAJOPMVSQIBJCW-SNAWJCMRSA-N

Formula

C5H6

SMILES

C#CC=CC

Molecular Weight¹

66.10

CAS

2004-69-5

Other Names

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

• ω : Acentric Factor.
• 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
ω	0.1494		Relay (1.0) Calculated Property
ΔfG°	294.51	kJ/mol	Joback Calculated Property
ΔfH°gas	259.00	kJ/mol	NIST
ΔfusH°	11.88	kJ/mol	Joback Calculated Property
ΔvapH°	27.90	kJ/mol	Relay (1.0) Calculated Property
IE	[9.05; 9.11]	eV
IE	9.05 ± 0.01	eV	NIST
IE	9.10 ± 0.10	eV	NIST
IE	9.11 ± 0.03	eV	NIST
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	1.196		Crippen Calculated Property
McVol	68.410	ml/mol	McGowan Calculated Property
Pc	4456.32	kPa	Joback Calculated Property
Tboil	[323.65; 325.05]	K
Tboil	323.65 ± 1.00	K	NIST
Tboil	325.05 ± 0.40	K	NIST
Tc	496.77	K	Relay (1.0) Calculated Property
Tfus	235.60	K	Relay (1.0) Calculated Property
Vc	0.239	m3/kmol	Relay (1.0) Calculated Property

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; 202.65]	kPa	[240.28; 343.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54585e+01
Coefficient B			-3.16592e+03
Coefficient C			-3.15970e+01
Temperature range, min.			240.28
Temperature range, max.			343.60
Pvap	1.33	kPa	240.28	Calculated Property
Pvap	2.94	kPa	251.76	Calculated Property
Pvap	6.00	kPa	263.24	Calculated Property
Pvap	11.44	kPa	274.72	Calculated Property
Pvap	20.57	kPa	286.20	Calculated Property
Pvap	35.17	kPa	297.68	Calculated Property
Pvap	57.54	kPa	309.16	Calculated Property
Pvap	90.51	kPa	320.64	Calculated Property
Pvap	137.53	kPa	332.12	Calculated Property
Pvap	202.65	kPa	343.60	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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