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-Hexyne, 1-phenyl-
  • Butylphenylacetylene
  • 1-Butyl-2-phenylacetylene
  • 1-Phenyl-1-hexyne
  • 1-Hexynyl-benzene
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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
log10WS -3.85 Crippen Calculated Property
logPoct/wat 3.228 Crippen Calculated Property
McVol 147.580 ml/mol McGowan Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Inp 227.90 NIST
Tboil [503.50; 503.70] K Show Hide
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/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [312.48; 395.64] J/mol×K [509.64; 735.81] Show Hide
Cp,gas 312.48 J/mol×K 509.64 Joback Calculated Property
Cp,gas 328.65 J/mol×K 547.34 Joback Calculated Property
Cp,gas 343.83 J/mol×K 585.03 Joback Calculated Property
Cp,gas 358.08 J/mol×K 622.73 Joback Calculated Property
Cp,gas 371.43 J/mol×K 660.42 Joback Calculated Property
Cp,gas 383.94 J/mol×K 698.12 Joback Calculated Property
Cp,gas 395.64 J/mol×K 735.81 Joback Calculated Property

Similar Compounds

1-Phenyl-1-heptyne. 1-Phenyl-1-octyne. 1-Phenyl-1-nonyne. 1-Phenyl-1-pentyne. Naphtho[1,8',8:c,d]cycloundeca-1,5-diyne. 6-Phenyl-5-hexyn-3-ol. Naphtho[1,8',8:c,d]cyclododeca-1,6-diyne. Naphtho[1,8',8:c,d]cyclodeca-1,5-diiyne. Benzene, 1-butynyl-. Isovalerylphenylacetylene. 1-Phenylpenta-1-yn-3-one. Dibenzo[a,c]cyclododecene, 5,6,11,12-tetradehydro-7,8,9,10-tetrahydro-. 7H-Dibenzo-8,9,10,11-tetrahydro-. 1-(Phenylethynyl)-1-cyclopentanol. Tert-butyl(phenylacetylenyl)ketone.

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

Sources

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