Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy- (CAS 52709-87-2)

[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-

InChI
InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChI Key
KPQVQWUNELODQE-UHFFFAOYSA-N
Formula
C17H17NO
SMILES
CCCCOc1ccc(-c2ccc(C#N)cc2)cc1
Molecular Weight1
251.32
CAS
52709-87-2
Other Names
  • 4'-Butoxy-4-biphenylcarbonitrile
  • 4'-n-Butyloxy-4-cyanobiphenyl
  • 4-Cyano-4'-n-butoxybiphenyl
  • 4'-butoxy[1,1'-biphenyl]-4-carbonitrile
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Physical Properties

Property Value Unit Source
ω 0.6866 Relay (1.0) Calculated Property
ΔfG° 326.00 kJ/mol Joback Calculated Property
ΔfH°gas 71.40 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.78 kJ/mol Joback Calculated Property
ΔvapH° 99.71 kJ/mol Relay (1.0) Calculated Property
IE 8.36 eV Relay (1.0) Calculated Property
log10WS -5.75 Relay (1.0) Calculated Property
logPoct/wat 4.404 Crippen Calculated Property
McVol 210.120 ml/mol McGowan Calculated Property
Pc 1957.87 kPa Joback Calculated Property
Tboil 665.98 K Relay (1.0) Calculated Property
Tc 889.41 K Relay (1.0) Calculated Property
Tfus 351.00 ± 1.00 K NIST
Vc 0.767 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [579.98; 650.88] J/mol×K [776.18; 1011.57] Show Hide
Cp,gas 579.98 J/mol×K 776.18 Joback Calculated Property
Cp,gas 594.46 J/mol×K 815.41 Joback Calculated Property
Cp,gas 607.81 J/mol×K 854.64 Joback Calculated Property
Cp,gas 620.08 J/mol×K 893.88 Joback Calculated Property
Cp,gas 631.31 J/mol×K 933.11 Joback Calculated Property
Cp,gas 641.56 J/mol×K 972.34 Joback Calculated Property
Cp,gas 650.88 J/mol×K 1011.57 Joback Calculated Property

Similar Compounds

[1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-. [1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-. [1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)-. [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-. [1,1'-Biphenyl]-4-carbonitrile, 4'-propoxy-. p-Butoxybenzonitrile. p-Octyloxybenzonitrile. p-Butoxytoluene. Succinic acid, 4-biphenyl butyl ester. Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-. Succinic acid, 4-biphenyl pentyl ester. Succinic acid, 4-biphenyl nonyl ester. Succinic acid, 4-biphenyl octyl ester. Succinic acid, 4-biphenyl tridecyl ester. Adipic acid, 4-biphenyl butyl ester.

Find more compounds similar to [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-.

Sources

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