Chemical Properties of Benzene, 1-hexynyl- (CAS 1129-65-3)

Benzene, 1-hexynyl-

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InChI
InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3
InChI Key
VBRLZTLFLNZEPZ-UHFFFAOYSA-N
Formula
C12H14
SMILES
CCCCC#Cc1ccccc1
Molecular Weight1
158.24
CAS
1129-65-3
Other Names
  • 1-Butyl-2-phenylacetylene
  • 1-Hexyne, 1-phenyl-
  • 1-Hexynyl-benzene
  • 1-Phenyl-1-hexyne
  • Butylphenylacetylene
Sources

Physical Properties

Property Value Unit Source
Δf 365.37 kJ/mol Joback Calculated Property
Δfgas 226.00 kJ/mol NIST
Δfus 24.00 kJ/mol Joback Calculated Property
Δvap 46.73 kJ/mol Joback Calculated Property
logPoct/wat 3.228 Crippen Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Tboil 503.70 K NIST
Tboil 503.50 ± 1.50 K NIST
Tc 735.81 K Joback Calculated Property
Tfus 357.52 K Joback Calculated Property
Vc 0.561 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 312.48 J/mol×K 509.64 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
=C< (ring) 1
-CH2- 3
-CH3 1
=CH- (ring) 5

Similar Compounds

1-Phenyl-1-heptyne. 1-Phenyl-1-pentyne. 1-Phenyl-1-octyne. 1-Phenyl-1-nonyne. Benzene, 1-butynyl-. 6-Phenyl-5-hexyn-3-ol. Benzene, 1-propynyl-. 1-Phenylpenta-1-yn-3-one. 4-Phenyl-3-butyn-2-one. 3-Phenyl-2-propyn-1-ol. Phenylpropargyl aldehyde. Benzene, 1-methyl-4-(1-propynyl)-. Isovalerylphenylacetylene. Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-. Tert-butyl(phenylacetylenyl)ketone.

Find more compounds similar to Benzene, 1-hexynyl-.

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