Chemical Properties of 2-Heptyne (CAS 1119-65-9)

2-Heptyne

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InChI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3
InChI Key
AMSFEMSYKQQCHL-UHFFFAOYSA-N
Formula
C7H12
SMILES
CC#CCCCC
Molecular Weight1
96.17
CAS
1119-65-9
Other Names
  • 1-METHYL-2-BUTYLACETYLENE
  • hept-2-yne
  • n-C4H9C«equiv»CCH3
  • n-C4H9C«equiv»CCH3
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Physical Properties

Property Value Unit Source
Δf 210.86 kJ/mol Joback Calculated Property
Δfgas 84.80 ± 2.20 kJ/mol NIST
Δfus 17.01 kJ/mol Joback Calculated Property
Δvap 33.33 kJ/mol Joback Calculated Property
IE [9.18; 9.33] eV Show Hide
IE 9.18 eV NIST
IE 9.33 ± 0.01 eV NIST
log10WS -2.55 Crippen Calculated Property
logPoct/wat 2.200 Crippen Calculated Property
McVol 100.890 ml/mol McGowan Calculated Property
Pc 3341.24 kPa Joback Calculated Property
Inp [741.00; 766.00]   Show Hide
Inp 743.00 NIST
Inp Outlier 766.00 NIST
Inp 743.00 NIST
Inp 742.00 NIST
Inp 742.00 NIST
Inp 741.00 NIST
Inp 744.00 NIST
Inp 743.00 NIST
Inp 746.00 NIST
Inp 747.00 NIST
Inp 746.00 NIST
Inp 746.00 NIST
Inp 744.00 NIST
I [964.00; 978.30]   Show Hide
I 965.00 NIST
I 964.00 NIST
I 964.00 NIST
I 978.30 NIST
Tboil [112.47; 385.65] K Show Hide
Tboil 385.20 K NIST
Tboil Outlier 112.47 ± 0.20 K NIST
Tboil 385.62 ± 0.60 K NIST
Tboil 383.90 ± 1.00 K NIST
Tboil 385.40 ± 1.50 K NIST
Tboil 385.15 ± 1.00 K NIST
Tboil 366.15 K NIST
Tboil 385.65 ± 2.00 K NIST
Tboil 385.15 ± 2.00 K NIST
Tc 556.83 K Joback Calculated Property
Tfus 274.75 K Joback Calculated Property
Vc 0.390 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [171.96; 229.80] J/mol×K [368.56; 556.83] Show Hide
Cp,gas 171.96 J/mol×K 368.56 Joback Calculated Property
Cp,gas 182.57 J/mol×K 399.94 Joback Calculated Property
Cp,gas 192.78 J/mol×K 431.32 Joback Calculated Property
Cp,gas 202.60 J/mol×K 462.70 Joback Calculated Property
Cp,gas 212.03 J/mol×K 494.08 Joback Calculated Property
Cp,gas 221.10 J/mol×K 525.45 Joback Calculated Property
Cp,gas 229.80 J/mol×K 556.83 Joback Calculated Property
ΔvapH 38.60 kJ/mol 365.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [281.28; 411.40] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39871e+01
Coefficient B-3.07825e+03
Coefficient C-5.65840e+01
Temperature range, min.281.28
Temperature range, max.411.40
Pvap 1.33 kPa 281.28 Calculated Property
Pvap 3.05 kPa 295.74 Calculated Property
Pvap 6.36 kPa 310.20 Calculated Property
Pvap 12.23 kPa 324.65 Calculated Property
Pvap 22.01 kPa 339.11 Calculated Property
Pvap 37.42 kPa 353.57 Calculated Property
Pvap 60.54 kPa 368.03 Calculated Property
Pvap 93.85 kPa 382.48 Calculated Property
Pvap 140.18 kPa 396.94 Calculated Property
Pvap 202.65 kPa 411.40 Calculated Property
Pvap [13.48; 104.01] kPa [330.15; 386.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.41860e+01
Coefficient B-7.28304e+03
Coefficient C-8.63386e+00
Coefficient D5.02284e-06
Temperature range, min.330.15
Temperature range, max.386.00
Pvap 13.48 kPa 330.15 Calculated Property
Pvap 17.61 kPa 336.36 Calculated Property
Pvap 22.73 kPa 342.56 Calculated Property
Pvap 29.04 kPa 348.77 Calculated Property
Pvap 36.72 kPa 354.97 Calculated Property
Pvap 45.99 kPa 361.18 Calculated Property
Pvap 57.10 kPa 367.38 Calculated Property
Pvap 70.28 kPa 373.59 Calculated Property
Pvap 85.82 kPa 379.79 Calculated Property
Pvap 104.01 kPa 386.00 Calculated Property

Similar Compounds

5-Decyne. 3-Octyne. 4-Nonyne. 5,9-Tetradecadiyne. 2-Octyne. 6-Dodecyne. 5-Undecyne. 3-Nonyne. 3,9-Dodecadiyne. 4-Decyne. 1,5-Decadiyne. 2-Nonyne. 2,8-Decadiyne. 2-Undecyne. 2-Decyne.

Find more compounds similar to 2-Heptyne.

Sources

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

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