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

2-Hexene, (E)-

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω [0.2420; 0.2990]   Show Hide
ω 0.2990 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.2886 ChemSep v8.3 pure component data Compiled value
ω 0.2420 KDB
AP 299.150 K KDB
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° [76.49; 76.75] kJ/mol Show Hide
ΔfG° 76.75 kJ/mol ChemSep v8.3 pure component data Compiled value
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 Show Hide
ΔfH°gas -53.81 kJ/mol ChemSep v8.3 pure component data Compiled value
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 Show Hide
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 Show Hide
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 Show Hide
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
logPoct/wat 2.363 Crippen Calculated Property
McVol 91.100 ml/mol McGowan Calculated Property
Pc [3120.81; 3270.00] kPa Show Hide
Pc 3120.81 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3168.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 3270.00 kPa KDB
Ptriple 1.79e-06 kPa ChemSep v8.3 pure component data Compiled value
Inp [596.00; 613.00]   Show Hide
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 605.00 NIST
Inp 602.00 NIST
Inp 596.00 NIST
Inp 604.00 NIST
Inp 600.00 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
Inp 605.50 NIST
Ip [648.00; 663.40]   Show Hide
Ip 663.00 NIST
Ip 663.00 NIST
Ip 663.40 NIST
Ip 663.40 NIST
Ip 663.40 NIST
Ip 663.40 NIST
Ip 660.00 NIST
Ip Outlier 648.00 NIST
Ip 663.00 NIST
Ip 663.40 NIST
Tboil [339.15; 341.25] K Show Hide
Tboil 341.02 K ChemSep v8.3 pure component data Compiled value
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 [508.00; 516.00] K Show Hide
Tc 509.00 K Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc 508.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 509.80 K ChemSep v8.3 pure component data Compiled value
Tc 516.00 K KDB
Tfus [139.65; 140.17] K Show Hide
Tfus 140.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 140.17 K ChemSep v8.3 pure component data Compiled value
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
Ttriple 140.17 K ChemSep v8.3 pure component data Compiled value
UQi 3.64 ChemSep v8.3 pure component data Compiled value
URi 4.27 ChemSep v8.3 pure component data Compiled value
Vc [0.345; 0.351] m3/kmol Show Hide
Vc 0.351 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.345 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.351 m3/kmol KDB
Zc [0.2580000; 0.2675280]   Show Hide
Zc 0.2580000 ChemSep v8.3 pure component data Compiled value
Zc 0.2675280 KDB
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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
Cp,gas [107.58; 346.62] J/mol×K [200.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A9.68390e+01
Coefficient B-7.58810e+02
Coefficient C6.20424e+00
Coefficient D-1.89110e-04
Coefficient E4.70570e-08
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 107.58 J/mol×K 200.00 Calculated Property
Cp,gas 148.34 J/mol×K 344.44 Calculated Property
Cp,gas 193.47 J/mol×K 488.89 Calculated Property
Cp,gas 231.83 J/mol×K 633.33 Calculated Property
Cp,gas 262.51 J/mol×K 777.78 Calculated Property
Cp,gas 286.85 J/mol×K 922.22 Calculated Property
Cp,gas 306.33 J/mol×K 1066.67 Calculated Property
Cp,gas 322.20 J/mol×K 1211.11 Calculated Property
Cp,gas 335.39 J/mol×K 1355.56 Calculated Property
Cp,gas 346.62 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [158.03; 196.03] J/mol×K [140.17; 341.02] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A1.45330e+02
Coefficient B5.91610e+02
Coefficient C-6.45691e+00
Coefficient D4.01760e-02
Coefficient E-4.34490e-05
Temperature range, min.140.17
Temperature range, max.341.02
Cp,liquid 158.03 J/mol×K 140.17 Calculated Property
Cp,liquid 158.33 J/mol×K 162.49 Calculated Property
Cp,liquid 159.99 J/mol×K 184.80 Calculated Property
Cp,liquid 162.74 J/mol×K 207.12 Calculated Property
Cp,liquid 166.49 J/mol×K 229.44 Calculated Property
Cp,liquid 171.22 J/mol×K 251.75 Calculated Property
Cp,liquid 176.80 J/mol×K 274.07 Calculated Property
Cp,liquid 183.04 J/mol×K 296.39 Calculated Property
Cp,liquid 189.61 J/mol×K 318.70 Calculated Property
Cp,liquid 196.03 J/mol×K 341.02 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0053389; 0.0001940] Pa×s [140.17; 341.02] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.12960e+01
Coefficient B7.98850e+02
Coefficient C7.46880e-02
Coefficient D-2.57650e-07
Coefficient E2.00000e+00
Temperature range, min.140.17
Temperature range, max.341.02
η 0.0053389 Pa×s 140.17 Calculated Property
η 0.0024634 Pa×s 162.49 Calculated Property
η 0.0013709 Pa×s 184.80 Calculated Property
η 0.0008659 Pa×s 207.12 Calculated Property
η 0.0005981 Pa×s 229.44 Calculated Property
η 0.0004411 Pa×s 251.75 Calculated Property
η 0.0003418 Pa×s 274.07 Calculated Property
η 0.0002751 Pa×s 296.39 Calculated Property
η 0.0002282 Pa×s 318.70 Calculated Property
η 0.0001940 Pa×s 341.02 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [38.09; 12.59] kJ/mol [140.17; 490.35] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A4.40220e+01
Coefficient B5.63356e-01
Coefficient C-4.97314e-01
Coefficient D3.06975e-01
Coefficient E1.61359e-02
Critical temperature, Tc (K)5.09800e+02
Temperature range, min.140.17
Temperature range, max.490.35
ΔvapH 38.09 kJ/mol 140.17 Calculated Property
ΔvapH 36.59 kJ/mol 179.08 Calculated Property
ΔvapH 35.06 kJ/mol 217.99 Calculated Property
ΔvapH 33.43 kJ/mol 256.90 Calculated Property
ΔvapH 31.62 kJ/mol 295.81 Calculated Property
ΔvapH 29.53 kJ/mol 334.71 Calculated Property
ΔvapH 27.01 kJ/mol 373.62 Calculated Property
ΔvapH 23.83 kJ/mol 412.53 Calculated Property
ΔvapH 19.53 kJ/mol 451.44 Calculated Property
ΔvapH 12.59 kJ/mol 490.35 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.68] kPa [246.08; 364.88] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41268e+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 [5.46e-07; 3168.00] kPa [140.17; 500.99] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A9.58535e+01
Coefficient B-6.85825e+03
Coefficient C-1.24647e+01
Coefficient D1.34849e-05
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 509.8 K.
Temperature range, min.140.17
Temperature range, max.500.99
Pvap 5.46e-07 kPa 140.17 Calculated Property
Pvap 1.50e-03 kPa 180.26 Calculated Property
Pvap 0.15 kPa 220.35 Calculated Property
Pvap 3.01 kPa 260.44 Calculated Property
Pvap 22.95 kPa 300.53 Calculated Property
Pvap 99.97 kPa 340.62 Calculated Property
Pvap 307.39 kPa 380.71 Calculated Property
Pvap 757.26 kPa 420.80 Calculated Property
Pvap 1619.25 kPa 460.90 Calculated Property
Pvap 3168.00 kPa 500.99 Calculated Property
Pvap [8.22e-07; 3151.45] kPa [140.17; 513.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A7.51774e+01
Coefficient B-6.19923e+03
Coefficient C-9.12514e+00
Coefficient D7.24225e-06
Coefficient E0.00000e+00
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
Property Value Unit Temperature (K) Source
ρl [802.58; 243.91] kg/m3 [140.17; 509.80] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A6.60989e+01
Coefficient B2.71000e-01
Coefficient C5.09800e+02
Coefficient D2.85710e-01
Temperature range, min.140.17
Temperature range, max.509.80
ρl 802.58 kg/m3 140.17 Calculated Property
ρl 771.56 kg/m3 181.24 Calculated Property
ρl 739.01 kg/m3 222.31 Calculated Property
ρl 704.54 kg/m3 263.38 Calculated Property
ρl 667.61 kg/m3 304.45 Calculated Property
ρl 627.36 kg/m3 345.52 Calculated Property
ρl 582.29 kg/m3 386.59 Calculated Property
ρl 529.42 kg/m3 427.66 Calculated Property
ρl 460.61 kg/m3 468.73 Calculated Property
ρl 243.91 kg/m3 509.80 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 7.20e-04] N/m [140.17; 490.35] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-2.41830e-02
Coefficient B-3.21660e-01
Coefficient C-2.49940e+00
Coefficient D-1.83730e-03
Coefficient E-1.21350e-06
Temperature range, min.140.17
Temperature range, max.490.35
γ 0.04 N/m 140.17 Calculated Property
γ 0.03 N/m 179.08 Calculated Property
γ 0.03 N/m 217.99 Calculated Property
γ 0.02 N/m 256.90 Calculated Property
γ 0.02 N/m 295.81 Calculated Property
γ 0.01 N/m 334.71 Calculated Property
γ 0.01 N/m 373.62 Calculated Property
γ 0.01 N/m 412.53 Calculated Property
γ 0.00 N/m 451.44 Calculated Property
γ 7.20e-04 N/m 490.35 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [140.17; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A9.48530e-05
Coefficient B1.01750e+00
Coefficient C2.83660e+00
Coefficient D1.54410e+05
Temperature range, min.140.17
Temperature range, max.1000.00
λgas 0.00 W/m×K 140.17 Calculated Property
λgas 0.01 W/m×K 235.71 Calculated Property
λgas 0.01 W/m×K 331.24 Calculated Property
λgas 0.02 W/m×K 426.78 Calculated Property
λgas 0.04 W/m×K 522.32 Calculated Property
λgas 0.05 W/m×K 617.85 Calculated Property
λgas 0.06 W/m×K 713.39 Calculated Property
λgas 0.07 W/m×K 808.93 Calculated Property
λgas 0.08 W/m×K 904.46 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.17; 0.11] W/m×K [140.17; 341.02] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A-9.10760e-02
Coefficient B-1.43520e-01
Coefficient C-1.19630e+00
Coefficient D-9.38010e-04
Coefficient E-7.12300e-07
Temperature range, min.140.17
Temperature range, max.341.02
λliquid 0.17 W/m×K 140.17 Calculated Property
λliquid 0.16 W/m×K 162.49 Calculated Property
λliquid 0.16 W/m×K 184.80 Calculated Property
λliquid 0.15 W/m×K 207.12 Calculated Property
λliquid 0.14 W/m×K 229.44 Calculated Property
λliquid 0.14 W/m×K 251.75 Calculated Property
λliquid 0.13 W/m×K 274.07 Calculated Property
λliquid 0.12 W/m×K 296.39 Calculated Property
λliquid 0.12 W/m×K 318.70 Calculated Property
λliquid 0.11 W/m×K 341.02 Calculated Property

Similar Compounds

2-Hexene, (Z)-. 2-Hexene. 4-Octene. 4-Octene, (E)-. 4-Octene, (Z)-. 3-Heptene, (E)-. (Z)-3-Heptene. 3-Heptene. trans-2,trans-6-nonadiene. cis-2,trans-6-decadiene. cis-2,cis-6-decadiene. trans-2,cis-6-decadiene. trans-2,trans-7-decadiene. (Z)-2-Heptene. 2-Heptene.

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

Sources

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.