Chemical Properties of 1-Pentyne, 3-methyl- (CAS 922-59-8)

1-Pentyne, 3-methyl-

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InChI
InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3
InChI Key
PLHJCCHSCFNKCC-UHFFFAOYSA-N
Formula
C6H10
SMILES
C#CC(C)CC
Molecular Weight1
82.14
CAS
922-59-8
Other Names
  • 3-Methyl-1-pentyne
  • CH3CH2CH(CH3)C«equiv»CH
Sources

Physical Properties

Property Value Unit Source
Δf 220.27 kJ/mol Joback Calculated Property
Δfgas 119.45 kJ/mol Joback Calculated Property
Δfus 10.75 kJ/mol Joback Calculated Property
Δvap 28.42 kJ/mol Joback Calculated Property
IE 9.79 ± 0.05 eV NIST
IE 9.98 ± 0.02 eV NIST
IE 9.97 ± 0.01 eV NIST
logPoct/wat 1.67 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 330.00 K NIST
Tboil 330.85 ± 0.40 K NIST
Tc 505.86 K Joback Calculated Property
Tfus 189.35 K Joback Calculated Property
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 138.67 J/mol×K 326.36 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 1
>CH- 1
-CH2- 1
-CH3 2
#CH 1

Similar Compounds

1-Pentyne, 3,4-dimethyl. 1-Pentyne, 4-methyl-. 3-Methyl-1-hexyne. 1-Pentyne, 3,3-dimethyl-. 4-Methyl-2-hexyne. Cyclopropylacethylene. 1-Butyne, 3-methyl-. Pent-1-yn-3-yl. 1-Pentyne. 1-Hexyne, 3,5-dimethyl. 1-Heptyne, 3-methyl. 1-Pentyne, 4,4-dimethyl-. 1-Hexyne, 5-methyl-. HCCCH2CH()CCH. 1,5-Hexadiyne.

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