Chemical Properties of 3-Hexene, (E)- (CAS 13269-52-8)

InChI

InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChI Key

ZQDPJFUHLCOCRG-AATRIKPKSA-N

Formula

C6H12

SMILES

CCC=CCC

Molecular Weight¹

84.16

CAS

13269-52-8

Other Names

• (E)-3-C6H12
• (E)-3-hexene
• trans-3-hexene
• trans-hex-3-ene

• ω : Acentric Factor.
• AP : Aniline Point (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2270; 0.2920]
ω	0.2920		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2273		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2270		KDB
AP	300.150	K	KDB
μ	0.00	debye	KDB
ΔfG°	77.67	kJ/mol	KDB
Δc,grossH	3990.07	kJ/mol	KDB
Δc,netH	3725.978	kJ/mol	KDB
ΔfH°gas	[-57.40; -49.30]	kJ/mol
ΔfH°gas	-54.47	kJ/mol	KDB
ΔfH°gas	-49.30 ± 1.00	kJ/mol	NIST
ΔfH°gas	-49.30 ± 1.10	kJ/mol	NIST
ΔfH°gas	-51.50	kJ/mol	NIST
ΔfH°gas	-50.60 ± 0.80	kJ/mol	NIST
ΔfH°gas	-57.40 ± 1.80	kJ/mol	NIST
ΔfH°liquid	[-88.90; -80.80]	kJ/mol
ΔfH°liquid	-80.80 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-80.80 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-82.13 ± 0.84	kJ/mol	NIST
ΔfH°liquid	-88.90 ± 1.80	kJ/mol	NIST
ΔfusH°	11.50	kJ/mol	Joback Calculated Property
ΔvapH°	[31.50; 31.60]	kJ/mol
ΔvapH°	31.60	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
IE	[8.83; 9.14]	eV
IE	8.83 ± 0.02	eV	NIST
IE	8.97	eV	NIST
IE	8.96 ± 0.01	eV	NIST
IE	8.95 ± 0.01	eV	NIST
IE	9.14 ± 0.01	eV	NIST
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
Pc	[3250.00; 3282.93]	kPa
Pc	3282.93	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3254.33	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	3250.00	kPa	KDB
Inp	[590.60; 606.90]
Inp	603.20		NIST
Inp	592.10		NIST
Inp	591.00		NIST
Inp	601.00		NIST
Inp	601.00		NIST
Inp	600.00		NIST
Inp	602.80		NIST
Inp	602.40		NIST
Inp	592.50		NIST
Inp	591.90		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	601.00		NIST
Inp	601.00		NIST
Inp	601.00		NIST
Inp	600.00		NIST
Inp	600.00		NIST
Inp	606.90		NIST
Inp	606.60		NIST
Inp	606.30		NIST
Inp	605.90		NIST
Inp	605.50		NIST
Inp	605.20		NIST
Inp	602.30		NIST
Inp	602.30		NIST
Inp	602.20		NIST
Inp	602.20		NIST
Inp	602.30		NIST
Inp	602.20		NIST
Inp	604.00		NIST
Inp	603.20		NIST
Inp	602.00		NIST
Inp	601.00		NIST
Inp	599.70		NIST
Inp	598.60		NIST
Inp	592.10		NIST
Inp	591.70		NIST
Inp	592.40		NIST
Inp	591.80		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	592.20		NIST
Inp	592.00		NIST
Inp	592.00		NIST
Inp	592.27		NIST
Inp	591.00		NIST
Inp	591.00		NIST
Inp	591.00		NIST
Inp	595.80		NIST
Inp	592.70		NIST
Inp	593.00		NIST
Inp	590.60		NIST
Inp	591.40		NIST
Inp	595.00		NIST
Inp	594.00		NIST
Inp	593.00		NIST
Inp	593.00		NIST
Inp	592.00		NIST
Inp	593.00		NIST
Inp	602.00		NIST
Inp	595.00		NIST
Inp	603.00		NIST
Inp	604.00		NIST
Inp	603.20		NIST
Inp	604.00		NIST
Inp	601.03		NIST
Inp	601.42		NIST
Inp	601.00		NIST
Inp	592.20		NIST
Inp	592.00		NIST
Inp	596.00		NIST
Inp	592.00		NIST
Inp	593.00		NIST
Inp	603.00		NIST
Inp	601.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	591.00		NIST
Inp	603.00		NIST
Inp	603.00		NIST
Inp	603.00		NIST
Inp	604.00		NIST
Inp	604.00		NIST
Inp	597.00		NIST
Inp	600.00		NIST
Inp	593.00		NIST
Inp	603.20		NIST
Inp	600.00		NIST
Inp	602.00		NIST
Inp	601.00		NIST
Inp	606.30		NIST
Inp	602.30		NIST
Inp	604.00		NIST
Inp	598.60		NIST
Inp	592.00		NIST
Inp	592.27		NIST
Inp	592.70		NIST
Inp	594.00		NIST
Inp	603.00		NIST
Ip	[633.00; 656.40]
Ip	656.00		NIST
Ip	656.00		NIST
Ip	656.40		NIST
Ip	655.60		NIST
Ip	655.60		NIST
Ip	656.40		NIST
Ip	643.00		NIST
Ip	Outlier 633.00		NIST
Ip	640.00		NIST
Ip	656.00		NIST
Ip	656.40		NIST
Tboil	[339.15; 340.65]	K
Tboil	340.30	K	KDB
Tboil	340.00	K	NIST
Tboil	340.30	K	NIST
Tboil	340.30 ± 0.40	K	NIST
Tboil	Outlier 339.15 ± 0.50	K	NIST
Tboil	340.30 ± 0.20	K	NIST
Tboil	340.27 ± 0.30	K	NIST
Tboil	340.28 ± 0.30	K	NIST
Tboil	340.27 ± 0.30	K	NIST
Tboil	340.27 ± 0.30	K	NIST
Tboil	340.65 ± 3.00	K	NIST
Tboil	340.60 ± 1.00	K	NIST
Tboil	340.46 ± 0.30	K	NIST
Tboil	339.85 ± 0.40	K	NIST
Tc	[507.40; 519.90]	K
Tc	507.40	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc	510.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	519.87	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	519.90	K	KDB
Tfus	[158.87; 160.15]	K
Tfus	158.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	159.70	K	KDB
Tfus	159.72 ± 0.03	K	NIST
Tfus	158.87 ± 0.20	K	NIST
Tfus	159.49 ± 0.60	K	NIST
Tfus	159.72 ± 0.20	K	NIST
Tfus	159.64 ± 0.30	K	NIST
Tfus	159.64 ± 0.30	K	NIST
Tfus	159.48 ± 0.30	K	NIST
Tfus	160.00 ± 2.00	K	NIST
Tfus	160.15 ± 1.50	K	NIST
Vc	[0.350; 0.351]	m3/kmol
Vc	0.351	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.350	m3/kmol	KDB
Zc	0.2631450		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[28.95; 32.30]	kJ/mol	[309.50; 340.30]
ΔvapH	32.30	kJ/mol	309.50	NIST
ΔvapH	28.95	kJ/mol	340.30	KDB
n0	1.39137		298.15	KDB
ρl	677.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.76; 298.29]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.67480e+01
Coefficient B			5.93840e-01
Coefficient C			-3.86400e-04
Coefficient D			1.07600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.76	J/mol×K	273.00	Calculated Property
Cp,gas	149.74	J/mol×K	353.78	Calculated Property
Cp,gas	177.17	J/mol×K	434.56	Calculated Property
Cp,gas	201.39	J/mol×K	515.33	Calculated Property
Cp,gas	222.73	J/mol×K	596.11	Calculated Property
Cp,gas	241.55	J/mol×K	676.89	Calculated Property
Cp,gas	258.17	J/mol×K	757.67	Calculated Property
Cp,gas	272.94	J/mol×K	838.44	Calculated Property
Cp,gas	286.20	J/mol×K	919.22	Calculated Property
Cp,gas	298.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031750; 0.0001627]	Pa×s	[159.58; 360.01]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.10893e+01
Coefficient B			8.51640e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			159.58
Temperature range, max.			360.01
η	0.0031750	Pa×s	159.58	Calculated Property
η	0.0016516	Pa×s	181.85	Calculated Property
η	0.0009908	Pa×s	204.12	Calculated Property
η	0.0006573	Pa×s	226.39	Calculated Property
η	0.0004693	Pa×s	248.66	Calculated Property
η	0.0003541	Pa×s	270.93	Calculated Property
η	0.0002789	Pa×s	293.20	Calculated Property
η	0.0002272	Pa×s	315.47	Calculated Property
η	0.0001902	Pa×s	337.74	Calculated Property
η	0.0001627	Pa×s	360.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[246.29; 363.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42386e+01
Coefficient B			-2.91031e+03
Coefficient C			-3.76810e+01
Temperature range, min.			246.29
Temperature range, max.			363.69
Pvap	1.33	kPa	246.29	Calculated Property
Pvap	3.03	kPa	259.33	Calculated Property
Pvap	6.29	kPa	272.38	Calculated Property
Pvap	12.08	kPa	285.42	Calculated Property
Pvap	21.73	kPa	298.47	Calculated Property
Pvap	36.98	kPa	311.51	Calculated Property
Pvap	59.96	kPa	324.56	Calculated Property
Pvap	93.22	kPa	337.60	Calculated Property
Pvap	139.69	kPa	350.65	Calculated Property
Pvap	202.66	kPa	363.69	Calculated Property
Pvap	[6.77e-05; 3207.85]	kPa	[159.73; 509.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.23944e+01
Coefficient B			-6.06494e+03
Coefficient C			-8.71458e+00
Coefficient D			7.36277e-06
Coefficient E			0.00000e+00
Temperature range, min.			159.73
Temperature range, max.			509.00
Pvap	6.77e-05	kPa	159.73	Calculated Property
Pvap	0.02	kPa	198.54	Calculated Property
Pvap	0.66	kPa	237.35	Calculated Property
Pvap	7.46	kPa	276.15	Calculated Property
Pvap	42.03	kPa	314.96	Calculated Property
Pvap	152.82	kPa	353.77	Calculated Property
Pvap	415.79	kPa	392.58	Calculated Property
Pvap	928.83	kPa	431.38	Calculated Property
Pvap	1810.29	kPa	470.19	Calculated Property
Pvap	3207.85	kPa	509.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, (E)-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Study on the separation of 1-hexene and trans-3-hexene using ionic liquids
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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