Chemical Properties of 1-Hexen-3-yne (CAS 13721-54-5)

InChI

InChI=1S/C6H8/c1-3-5-6-4-2/h3H,1,4H2,2H3

InChI Key

BYSRUWKGUGERFI-UHFFFAOYSA-N

Formula

C6H8

SMILES

C=CC#CCC

Molecular Weight¹

80.13

CAS

13721-54-5

Other Names

• 1-Hexene-3-yne
• C2H5C«equiv»CCH=CH2
• C2H5C«equiv»CCH=CH2
• Ethylvinylacetylene
• Vinylethylacetylene

• 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°	290.28	kJ/mol	Joback Calculated Property
ΔfH°gas	230.56	kJ/mol	Joback Calculated Property
ΔfusH°	13.14	kJ/mol	Joback Calculated Property
ΔvapH°	30.43	kJ/mol	Joback Calculated Property
IE	8.91 ± 0.01	eV	NIST
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	1.586		Crippen Calculated Property
McVol	82.500	ml/mol	McGowan Calculated Property
Pc	3945.61	kPa	Joback Calculated Property
Tboil	[356.65; 358.20]	K
Tboil	358.20	K	NIST
Tboil	356.90 ± 1.00	K	NIST
Tboil	356.65 ± 1.50	K	NIST
Tc	535.51	K	Joback Calculated Property
Tfus	261.72	K	Joback Calculated Property
Vc	0.315	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.24; 170.13]	J/mol×K	[342.36; 535.51]
Cp,gas	125.24	J/mol×K	342.36	Joback Calculated Property
Cp,gas	133.56	J/mol×K	374.55	Joback Calculated Property
Cp,gas	141.53	J/mol×K	406.74	Joback Calculated Property
Cp,gas	149.16	J/mol×K	438.94	Joback Calculated Property
Cp,gas	156.47	J/mol×K	471.13	Joback Calculated Property
Cp,gas	163.45	J/mol×K	503.32	Joback Calculated Property
Cp,gas	170.13	J/mol×K	535.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[266.52; 380.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52848e+01
Coefficient B			-3.38642e+03
Coefficient C			-4.07160e+01
Temperature range, min.			266.52
Temperature range, max.			380.27
Pvap	1.33	kPa	266.52	Calculated Property
Pvap	2.95	kPa	279.16	Calculated Property
Pvap	6.03	kPa	291.80	Calculated Property
Pvap	11.52	kPa	304.44	Calculated Property
Pvap	20.72	kPa	317.08	Calculated Property
Pvap	35.41	kPa	329.71	Calculated Property
Pvap	57.86	kPa	342.35	Calculated Property
Pvap	90.87	kPa	354.99	Calculated Property
Pvap	137.83	kPa	367.63	Calculated Property
Pvap	202.67	kPa	380.27	Calculated Property

Similar Compounds

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

Sources

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

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