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 : 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		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	-2.19		Crippen Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	91.100	ml/mol	McGowan Calculated Property
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
I	[633.00; 656.40]
I	656.00		NIST
I	656.00		NIST
I	656.40		NIST
I	655.60		NIST
I	655.60		NIST
I	656.40		NIST
I	643.00		NIST
I	Outlier 633.00		NIST
I	640.00		NIST
Tboil	340.30	K	KDB
Tc	[507.40; 519.90]	K
Tc	519.90	K	KDB
Tc	507.40	K	Gas-Liq...
Tfus	[158.87; 160.15]	K
Tfus	159.70	K	KDB
Tfus	159.72 ± 0.03	K	NIST
Tfus	Outlier 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	m3/kmol	KDB
Zc	0.2631450		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.03; 200.78]	J/mol×K	[340.84; 513.19]
Cp,gas	145.03	J/mol×K	340.84	Joback Calculated Property
Cp,gas	155.37	J/mol×K	369.56	Joback Calculated Property
Cp,gas	165.27	J/mol×K	398.29	Joback Calculated Property
Cp,gas	174.75	J/mol×K	427.01	Joback Calculated Property
Cp,gas	183.82	J/mol×K	455.74	Joback Calculated Property
Cp,gas	192.49	J/mol×K	484.46	Joback Calculated Property
Cp,gas	200.78	J/mol×K	513.19	Joback Calculated Property
η	[0.0001858; 0.0040974]	Pa×s	[152.30; 340.84]
η	0.0040974	Pa×s	152.30	Joback Calculated Property
η	0.0015745	Pa×s	183.72	Joback Calculated Property
η	0.0008000	Pa×s	215.15	Joback Calculated Property
η	0.0004831	Pa×s	246.57	Joback Calculated Property
η	0.0003269	Pa×s	277.99	Joback Calculated Property
η	0.0002395	Pa×s	309.42	Joback Calculated Property
η	0.0001858	Pa×s	340.84	Joback Calculated Property
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
Pvap	[1.33; 202.66]	kPa	[246.29; 363.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.23944e+01
Coefficient B			-6.06494e+03
Coefficient C			-8.71458e+00
Coefficient D			7.36277e-06
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
• 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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