Chemical Properties of 3-Heptyne (CAS 2586-89-2)

3-Heptyne

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-5H2,1-2H3
InChI Key
KLYHSJRCIZOUHE-UHFFFAOYSA-N
Formula
C7H12
SMILES
CCC#CCCC
Molecular Weight1
96.17
CAS
2586-89-2
Other Names
  • 1-Ethyl-2-propylacetylene
  • hept-3-yne
Sources

Physical Properties

Property Value Unit Source
Δf 210.86 kJ/mol Joback Calculated Property
Δfgas 82.80 ± 2.40 kJ/mol NIST
Δfus 17.01 kJ/mol Joback Calculated Property
Δvap 33.33 kJ/mol Joback Calculated Property
IE 9.26 ± 0.01 eV NIST
logPoct/wat 2.20 Crippen Calculated Property
Pc 3341.24 kPa Joback Calculated Property
Tboil [378.50; 380.40] K Show Hide
Tboil 378.50 ± 0.50 K NIST
Tboil 380.40 K NIST
Tboil 380.31 ± 0.30 K NIST
Tboil 379.00 ± 2.00 K NIST
Tboil 379.65 ± 2.00 K NIST
Tc 556.83 K Joback Calculated Property
Tfus 170.00 ± 2.00 K NIST
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 171.96 J/mol×K 368.56 Joback Calculated Property
ΔvapH 39.10 kJ/mol 361.5 NIST

Molecular Descriptors

Joback and Reid Groups
#C- 2
-CH2- 3
-CH3 2

Similar Compounds

4-Octyne. 2-Hexyne. 2-Heptyne. 3-Octyne. 4-Nonyne. 1,5-Octadiyne. 5-Decyne. 1,6-Octadiyne. 1,4-Octadiyne. 3-Hexyne. 2,6-Octadiyne. 2-Octyne. 4-Decyne. 6-Methyl-3-heptyne. 5-Undecyne.

Find more compounds similar to 3-Heptyne.

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.