Chemical Properties of 2-Hexyne (CAS 764-35-2)

2-Hexyne

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InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
InChI Key
MELUCTCJOARQQG-UHFFFAOYSA-N
Formula
C6H10
SMILES
CC#CCCC
Molecular Weight1
82.14
CAS
764-35-2
Other Names
  • 1-METHYL-2-PROPYLACETYLENE
  • C3H7C«equiv»CCH3
  • C3H7C«equiv»CCH3
  • Hex-2-yne
  • Methyl(propyl)acetylene
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Physical Properties

Property Value Unit Source
PAff 806.10 kJ/mol NIST
BasG 781.10 kJ/mol NIST
Δf 202.44 kJ/mol Joback Calculated Property
Δfgas 107.70 ± 2.40 kJ/mol NIST
Δfus 14.42 kJ/mol Joback Calculated Property
Δvap [35.80; 35.90] kJ/mol Show
Δvap 35.80 kJ/mol NIST
Δvap 35.90 kJ/mol NIST
IE [9.37; 9.97] eV Show
IE 9.37 ± 0.01 eV NIST
IE 9.37 ± 0.05 eV NIST
IE 9.37 ± 0.02 eV NIST
IE 9.37 ± 0.01 eV NIST
IE 9.97 ± 0.05 eV NIST
log10WS -2.13 Crippen Calculated Property
logPoct/wat 1.810 Crippen Calculated Property
McVol 86.800 ml/mol McGowan Calculated Property
Pc 3745.38 kPa Joback Calculated Property
Inp [638.00; 655.00]   Show
Inp 642.00 NIST
Inp 642.20 NIST
Inp 640.00 NIST
Inp 639.00 NIST
Inp 638.00 NIST
Inp 638.00 NIST
Inp 638.00 NIST
Inp 642.00 NIST
Inp 640.00 NIST
Inp 644.00 NIST
Inp 645.00 NIST
Inp 644.00 NIST
Inp 644.00 NIST
Inp 642.00 NIST
Inp Outlier 655.00 NIST
Inp Outlier 655.00 NIST
Inp 642.00 NIST
Inp 638.00 NIST
Inp 645.00 NIST
I [860.00; 876.60]   Show
I 860.00 NIST
I 864.00 NIST
I 862.00 NIST
I 876.60 NIST
Tboil [84.45; 359.15] K Show
Tboil 357.00 K NIST
Tboil 357.70 K NIST
Tboil Outlier 84.45 ± 0.20 K NIST
Tboil 357.00 ± 1.50 K NIST
Tboil 357.00 ± 2.00 K NIST
Tboil 357.34 ± 0.30 K NIST
Tboil 357.28 ± 0.30 K NIST
Tboil 356.55 ± 0.50 K NIST
Tboil 357.67 ± 0.30 K NIST
Tboil 356.70 ± 1.00 K NIST
Tboil 317.62 ± 0.30 K NIST
Tboil 357.70 ± 0.50 K NIST
Tboil 356.65 ± 1.50 K NIST
Tboil 359.15 ± 2.00 K NIST
Tboil 356.95 ± 0.50 K NIST
Tboil 357.00 ± 0.70 K NIST
Tboil 357.65 ± 2.00 K NIST
Tboil 356.65 ± 3.00 K NIST
Tboil 356.65 ± 3.00 K NIST
Tboil 357.00 ± 3.00 K NIST
Tc 534.57 K Joback Calculated Property
Tfus [183.57; 185.15] K Show
Tfus 183.57 ± 0.30 K NIST
Tfus 185.15 ± 1.50 K NIST
Vc 0.334 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [138.04; 187.51] J/mol×K [345.68; 534.57] Show
T(K)
Ideal gas heat capacity (J/mol×K)
140
150
160
170
180
190
350
400
450
500
Cp,gas 138.04 J/mol×K 345.68 Joback Calculated Property
Cp,gas 147.09 J/mol×K 377.16 Joback Calculated Property
Cp,gas 155.80 J/mol×K 408.64 Joback Calculated Property
Cp,gas 164.19 J/mol×K 440.13 Joback Calculated Property
Cp,gas 172.27 J/mol×K 471.61 Joback Calculated Property
Cp,gas 180.04 J/mol×K 503.09 Joback Calculated Property
Cp,gas 187.51 J/mol×K 534.57 Joback Calculated Property
ΔvapH [30.50; 31.60] kJ/mol [275.50; 303.50] Show
ΔvapH 31.60 kJ/mol 275.50 NIST
ΔvapH 30.50 kJ/mol 303.50 NIST
Pvap [1.37; 64.09] kPa [263.15; 343.15] Show
T(K)
Vapor pressure (kPa)
0
10
20
30
40
50
60
70
280
300
320
340
Pvap 1.37 kPa 263.15 Isother...
Pvap 1.39 kPa 263.15 Thermod...
Pvap 2.61 kPa 273.15 Thermod...
Pvap 2.56 kPa 273.15 Isother...
Pvap 4.53 kPa 283.15 Isother...
Pvap 4.63 kPa 283.15 Thermod...
Pvap 7.66 kPa 293.15 Isother...
Pvap 7.84 kPa 293.15 Thermod...
Pvap 9.80 kPa 298.15 Isother...
Pvap 10.05 kPa 298.15 Thermod...
Pvap 12.43 kPa 303.15 Isother...
Pvap 12.75 kPa 303.15 Thermod...
Pvap 19.45 kPa 313.15 Isother...
Pvap 19.99 kPa 313.15 Thermod...
Pvap 30.32 kPa 323.15 Thermod...
Pvap 29.46 kPa 323.15 Isother...
Pvap 44.66 kPa 333.15 Thermod...
Pvap 43.35 kPa 333.15 Isother...
Pvap 64.09 kPa 343.15 Thermod...
Pvap 62.15 kPa 343.15 Isother...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [259.87; 382.53] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38554e+01
Coefficient B-2.83032e+03
Coefficient C-5.12610e+01
Temperature range, min.259.87
Temperature range, max.382.53
T(K)
Vapor pressure (kPa)
0
50
100
150
200
300
350
Pvap 1.33 kPa 259.87 Calculated Property
Pvap 3.06 kPa 273.50 Calculated Property
Pvap 6.40 kPa 287.13 Calculated Property
Pvap 12.32 kPa 300.76 Calculated Property
Pvap 22.17 kPa 314.39 Calculated Property
Pvap 37.66 kPa 328.01 Calculated Property
Pvap 60.86 kPa 341.64 Calculated Property
Pvap 94.21 kPa 355.27 Calculated Property
Pvap 140.46 kPa 368.90 Calculated Property
Pvap 202.66 kPa 382.53 Calculated Property
Pvap [5.50e-04; 3571.59] kPa [183.65; 549.00] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.73075e+01
Coefficient B-7.03102e+03
Coefficient C-1.08954e+01
Coefficient D7.99421e-06
Temperature range, min.183.65
Temperature range, max.549.00
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
3500
200
300
400
500
Pvap 5.50e-04 kPa 183.65 Calculated Property
Pvap 0.07 kPa 224.24 Calculated Property
Pvap 1.70 kPa 264.84 Calculated Property
Pvap 14.77 kPa 305.43 Calculated Property
Pvap 69.78 kPa 346.03 Calculated Property
Pvap 223.17 kPa 386.62 Calculated Property
Pvap 551.27 kPa 427.22 Calculated Property
Pvap 1143.43 kPa 467.81 Calculated Property
Pvap 2104.85 kPa 508.41 Calculated Property
Pvap 3571.59 kPa 549.00 Calculated Property

Similar Compounds

3-Heptyne. 4-Octyne. 1-Pentyne. 1,4-Octadiyne. 4,6-Decadiyne. 3-Heptyne, 2-methyl. 2-Heptyne. 4-Nonyne. 5-Decyne. 2-Hexyn-1-ol. 3-Octyne. 1,6-Octadiyne. 1-Hepten-3-yne. Pent-1-yn-3-yl. Hept-3-yn-2-one.

Find more compounds similar to 2-Hexyne.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.