Chemical Properties of 3-Methylphenylacetylene (CAS 766-82-5)

3-Methylphenylacetylene

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InChI
InChI=1S/C9H8/c1-3-9-6-4-5-8(2)7-9/h1,4-7H,2H3
InChI Key
RENYIDZOAFFNHC-UHFFFAOYSA-N
Formula
C9H8
SMILES
C#Cc1cccc(C)c1
Molecular Weight1
116.16
CAS
766-82-5
Other Names
  • Benzene,1-ethynyl-3-methyl-
  • 3-Methylethynylbenzene
  • 1-Ethynyl-3-methylbenzene
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Physical Properties

Property Value Unit Source
PAff 843.00 kJ/mol NIST
BasG 810.60 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 8.63 ± 0.02 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 1011.00 NIST
I [1450.90; 1450.90]   Show Hide
I 1450.90 NIST
I 1450.90 NIST
Tboil 427.10 K Joback Calculated Property
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

3,5-(CH3)2-C6H3-CCH. 2-Methylphenylacetylene. Benzene, 1,3-dimethyl-. 3-Methylbenzyl radical. Benzene, 1-ethynyl-4-methyl-. Benzonitrile, 3-methyl-. Benzene, 1,2,4-trimethyl-. m-Xylyl bromide. Benzaldehyde, 3-methyl-. Benzene, 1,2,3-trimethyl-. 3-Cyanobenzyl radical. Toluene-D8. Toluene. Toluene-D3. Benzene, 1-(chloromethyl)-3-methyl-.

Find more compounds similar to 3-Methylphenylacetylene.

Sources

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