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

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

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.