Chemical Properties of Benzeneacetonitrile, 3,4-dimethoxy- (CAS 93-17-4)

Benzeneacetonitrile, 3,4-dimethoxy-

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InChI
InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
InChI Key
ASLSUMISAQDOOB-UHFFFAOYSA-N
Formula
C10H11NO2
SMILES
COc1ccc(CC#N)cc1OC
Molecular Weight1
177.20
CAS
93-17-4
Other Names
  • (3,4-dimethoxyphenyl)acetonitrile
  • 3,4-Dimethoxybenzyl cyanide
  • Acetonitrile, (3,4-dimethoxyphenyl)-
  • Veratryl cyanide
  • homoveratronitrile
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Physical Properties

Property Value Unit Source
Δf 49.65 kJ/mol Joback Calculated Property
Δfgas -135.70 kJ/mol Joback Calculated Property
Δfus 24.72 kJ/mol Heat Ca...
Δvap 56.75 kJ/mol Joback Calculated Property
log10WS -2.38 Crippen Calculated Property
logPoct/wat 1.770 Crippen Calculated Property
McVol 141.120 ml/mol McGowan Calculated Property
Pc 2668.02 kPa Joback Calculated Property
Tboil 611.76 K Joback Calculated Property
Tc 831.48 K Joback Calculated Property
Tfus 363.37 K Joback Calculated Property
Vc 0.549 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [332.82; 393.50] J/mol×K [611.76; 831.48] Show Hide
Cp,gas 332.82 J/mol×K 611.76 Joback Calculated Property
Cp,gas 344.49 J/mol×K 648.38 Joback Calculated Property
Cp,gas 355.55 J/mol×K 685.00 Joback Calculated Property
Cp,gas 365.99 J/mol×K 721.62 Joback Calculated Property
Cp,gas 375.80 J/mol×K 758.24 Joback Calculated Property
Cp,gas 384.97 J/mol×K 794.86 Joback Calculated Property
Cp,gas 393.50 J/mol×K 831.48 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 447.70 K 1.30 NIST

Similar Compounds

3,4-Methylenedioxyphenylacetonitrile. 3-Ethoxy-4-methoxyphenylacetonitrile. Benzeneacetonitrile, 3,4-diethoxy-. (3-Methoxyphenyl)acetonitrile. Benzene, 4-ethyl-1,2-dimethoxy-. 4-Benzyloxy-3-methoxyphenylacetonitrile. 3-Ethoxy-4-hydroxyphenylacetonitrile. Benzeneacetic acid, 3,4-dimethoxy-. 2,3,4-Trimethoxyphenylacetonitrile. Methyleugenol. 3,4-Dimethoxyphenylacetone. Benzeneacetic acid, 3,4-dimethoxy-, methyl ester. Phenol, 4-ethyl-2-methoxy-. 2,3-Dimethoxyphenylacetonitrile. 1,2-Dimethoxy-4-n-propylbenzene.

Find more compounds similar to Benzeneacetonitrile, 3,4-dimethoxy-.

Sources

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