Chemical Properties of 2-Hexene, (E)- (CAS 4050-45-7)

InChI

InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

InChI Key

RYPKRALMXUUNKS-HWKANZROSA-N

Formula

C6H12

SMILES

CC=CCCC

Molecular Weight¹

84.16

CAS

4050-45-7

Other Names

• (E)-2-C6H12
• (E)-2-HEXENE
• TRANS-2-HEXENE
• trans-hex-2-ene

• ω : Acentric Factor.
• AP : Aniline Point (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.2420		KDB
AP	299.150	K	KDB
ΔfG°	76.49	kJ/mol	KDB
Δc,grossH	3990.57	kJ/mol	KDB
Δc,netH	3726.480	kJ/mol	KDB
ΔfH°gas	[-55.80; -51.00]	kJ/mol
ΔfH°gas	-53.93	kJ/mol	KDB
ΔfH°gas	-51.00 ± 0.80	kJ/mol	NIST
ΔfH°gas	-52.10 ± 1.00	kJ/mol	NIST
ΔfH°gas	-52.50	kJ/mol	NIST
ΔfH°gas	-51.60 ± 0.80	kJ/mol	NIST
ΔfH°gas	-55.80 ± 1.30	kJ/mol	NIST
ΔfH°liquid	[-87.40; -82.60]	kJ/mol
ΔfH°liquid	-82.60 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-83.70 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-83.22 ± 0.84	kJ/mol	NIST
ΔfH°liquid	-87.40 ± 1.30	kJ/mol	NIST
ΔfusH°	11.50	kJ/mol	Joback Calculated Property
ΔvapH°	[31.50; 32.20]	kJ/mol
ΔvapH°	32.20	kJ/mol	NIST
ΔvapH°	31.60	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
IE	[8.93; 9.16]	eV
IE	8.97 ± 0.02	eV	NIST
IE	8.93	eV	NIST
IE	8.97 ± 0.01	eV	NIST
IE	9.16 ± 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	3270.00	kPa	KDB
Inp	[596.00; 613.00]
Inp	604.90		NIST
Inp	596.80		NIST
Inp	596.00		NIST
Inp	609.00		NIST
Inp	607.00		NIST
Inp	607.00		NIST
Inp	607.00		NIST
Inp	604.00		NIST
Inp	604.00		NIST
Inp	604.00		NIST
Inp	606.00		NIST
Inp	596.90		NIST
Inp	596.70		NIST
Inp	597.00		NIST
Inp	596.60		NIST
Inp	597.00		NIST
Inp	597.00		NIST
Inp	597.30		NIST
Inp	597.00		NIST
Inp	597.00		NIST
Inp	596.60		NIST
Inp	596.00		NIST
Inp	596.00		NIST
Inp	597.00		NIST
Inp	606.50		NIST
Inp	596.80		NIST
Inp	597.00		NIST
Inp	596.40		NIST
Inp	596.70		NIST
Inp	597.00		NIST
Inp	597.00		NIST
Inp	597.00		NIST
Inp	598.00		NIST
Inp	597.00		NIST
Inp	598.00		NIST
Inp	Outlier 613.00		NIST
Inp	596.00		NIST
Inp	605.50		NIST
Inp	606.00		NIST
Inp	604.60		NIST
Inp	606.00		NIST
Inp	603.38		NIST
Inp	603.43		NIST
Inp	603.00		NIST
Inp	604.00		NIST
Inp	596.90		NIST
Inp	597.00		NIST
Inp	598.00		NIST
Inp	Outlier 613.00		NIST
Inp	605.00		NIST
Inp	604.00		NIST
Inp	604.00		NIST
Inp	605.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	596.00		NIST
Inp	606.00		NIST
Inp	603.00		NIST
Inp	604.00		NIST
Inp	605.00		NIST
Inp	604.00		NIST
Inp	604.00		NIST
Inp	607.00		NIST
Inp	607.00		NIST
Inp	602.00		NIST
Inp	600.00		NIST
Inp	596.00		NIST
Inp	604.00		NIST
Inp	600.00		NIST
Inp	605.50		NIST
Inp	605.00		NIST
Inp	602.00		NIST
Inp	604.60		NIST
Inp	604.90		NIST
Inp	607.00		NIST
Inp	606.00		NIST
Inp	597.00		NIST
Inp	596.60		NIST
Inp	596.80		NIST
Inp	Outlier 613.00		NIST
Inp	596.90		NIST
I	[648.00; 663.40]
I	663.00		NIST
I	663.00		NIST
I	663.40		NIST
I	663.40		NIST
I	663.40		NIST
I	663.40		NIST
I	660.00		NIST
I	Outlier 648.00		NIST
I	663.00		NIST
I	663.40		NIST
Tboil	[339.15; 341.25]	K
Tboil	341.00	K	KDB
Tboil	341.10	K	NIST
Tboil	341.10 ± 0.40	K	NIST
Tboil	340.24 ± 0.20	K	NIST
Tboil	341.02 ± 0.30	K	NIST
Tboil	Outlier 339.15 ± 2.00	K	NIST
Tboil	341.06 ± 0.30	K	NIST
Tboil	340.27 ± 0.40	K	NIST
Tboil	340.28 ± 0.30	K	NIST
Tboil	341.06 ± 0.40	K	NIST
Tboil	341.23 ± 0.40	K	NIST
Tboil	341.23 ± 0.50	K	NIST
Tboil	341.23 ± 0.30	K	NIST
Tboil	341.25 ± 0.50	K	NIST
Tc	[509.00; 516.00]	K
Tc	516.00	K	KDB
Tc	509.00	K	Gas-Liq...
Tfus	[139.65; 140.17]	K
Tfus	140.00	K	KDB
Tfus	140.17 ± 0.04	K	NIST
Tfus	140.08 ± 0.20	K	NIST
Tfus	139.99 ± 0.40	K	NIST
Tfus	139.75 ± 0.40	K	NIST
Tfus	139.75 ± 0.60	K	NIST
Tfus	139.65 ± 1.50	K	NIST
Vc	0.351	m3/kmol	KDB
Zc	0.2675280		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	28.91	kJ/mol	341.00	KDB
n0	1.39073		298.15	KDB
ρl	678.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[246.08; 364.88]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41268e+01
Coefficient B			-2.88478e+03
Coefficient C			-3.76300e+01
Temperature range, min.			246.08
Temperature range, max.			364.88
Pvap	1.33	kPa	246.08	Calculated Property
Pvap	3.04	kPa	259.28	Calculated Property
Pvap	6.32	kPa	272.48	Calculated Property
Pvap	12.15	kPa	285.68	Calculated Property
Pvap	21.86	kPa	298.88	Calculated Property
Pvap	37.18	kPa	312.08	Calculated Property
Pvap	60.22	kPa	325.28	Calculated Property
Pvap	93.51	kPa	338.48	Calculated Property
Pvap	139.92	kPa	351.68	Calculated Property
Pvap	202.68	kPa	364.88	Calculated Property
Pvap	[8.22e-07; 3151.45]	kPa	[140.17; 513.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.51774e+01
Coefficient B			-6.19923e+03
Coefficient C			-9.12514e+00
Coefficient D			7.24225e-06
Temperature range, min.			140.17
Temperature range, max.			513.00
Pvap	8.22e-07	kPa	140.17	Calculated Property
Pvap	2.05e-03	kPa	181.60	Calculated Property
Pvap	0.20	kPa	223.02	Calculated Property
Pvap	3.84	kPa	264.45	Calculated Property
Pvap	28.87	kPa	305.87	Calculated Property
Pvap	123.62	kPa	347.30	Calculated Property
Pvap	369.45	kPa	388.72	Calculated Property
Pvap	870.87	kPa	430.15	Calculated Property
Pvap	1749.37	kPa	471.57	Calculated Property
Pvap	3151.45	kPa	513.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexene, (E)-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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