Chemical Properties of Benzene, 1-ethynyl-4-methyl- (CAS 766-97-2)

Benzene, 1-ethynyl-4-methyl-

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InChI
InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChI Key
KSZVOXHGCKKOLL-UHFFFAOYSA-N
Formula
C9H8
SMILES
C#Cc1ccc(C)cc1
Molecular Weight1
116.16
CAS
766-97-2
Other Names
  • Toluene, p-ethynyl-
  • p-Ethynyltoluene
  • p-Methylphenylacetylene
  • p-Tolylacetylene
  • 4-Methylphenylacetylene
  • 4-Ethynyltoluene
  • 4-Methylethynylbenzene
  • 1-ethynyl-4-methylbenzene
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Physical Properties

Property Value Unit Source
PAff 853.20 kJ/mol NIST
BasG 822.50 kJ/mol NIST
Δf 350.75 kJ/mol Joback Calculated Property
Δfgas 287.87 kJ/mol Joback Calculated Property
Δfus 15.69 kJ/mol Joback Calculated Property
Δvap 38.42 kJ/mol Joback Calculated Property
IE [8.43; 8.48] eV Show Hide
IE 8.48 ± 0.02 eV NIST
IE 8.43 eV NIST
log10WS -2.65 Crippen Calculated Property
logPoct/wat 1.976 Crippen Calculated Property
McVol 105.310 ml/mol McGowan Calculated Property
Pc 3819.82 kPa Joback Calculated Property
Inp [151.80; 1064.00]   Show Hide
Inp 1064.00 NIST
Inp 165.70 NIST
Inp 169.80 NIST
Inp 151.80 NIST
I 1454.30 NIST
Tboil 442.20 K NIST
Tc 652.10 K Joback Calculated Property
Tfus 277.10 K Joback Calculated Property
Vc 0.394 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [187.73; 248.19] J/mol×K [427.10; 652.10] Show Hide
Cp,gas 187.73 J/mol×K 427.10 Joback Calculated Property
Cp,gas 199.55 J/mol×K 464.60 Joback Calculated Property
Cp,gas 210.63 J/mol×K 502.10 Joback Calculated Property
Cp,gas 221.00 J/mol×K 539.60 Joback Calculated Property
Cp,gas 230.69 J/mol×K 577.10 Joback Calculated Property
Cp,gas 239.74 J/mol×K 614.60 Joback Calculated Property
Cp,gas 248.19 J/mol×K 652.10 Joback Calculated Property

Similar Compounds

di-p-Tolylacetylene. Benzene, 1-methyl-4-(1-propynyl)-. 4-Methylbenzyl radical. p-Xylene. 1,4-Di(methyl-d3)benzene-d4. 3-Methylphenylacetylene. 1,4-Diethynylbenzene. Toluene-D8. Toluene. Toluene-D3. Benzonitrile, 4-methyl-. 2-Methylphenylacetylene. Benzene, 1-(chloromethyl)-4-methyl-. [2H9]-1-(Chloromethyl)-4-methylbenzene. Tolualdehyde.

Find more compounds similar to Benzene, 1-ethynyl-4-methyl-.

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