Chemical Properties of 3,4-Dioxymethylenebenzylidenephenylacetonitrile (CAS 6948-55-6)

3,4-Dioxymethylenebenzylidenephenylacetonitrile

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InChI
InChI=1S/C16H11NO2/c17-10-14(13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)19-11-18-15/h1-9H,11H2/b14-8+
InChI Key
GNNCFMBWTKSMJN-RIYZIHGNSA-N
Formula
C16H11NO2
SMILES
N#CC(=Cc1ccc2c(c1)OCO2)c1ccccc1
Molecular Weight1
249.26
CAS
6948-55-6
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Physical Properties

Property Value Unit Source
Δcsolid -7941.00 kJ/mol NIST
Δf 390.47 kJ/mol Joback Calculated Property
Δfgas 178.00 kJ/mol Joback Calculated Property
Δfsolid 70.00 kJ/mol NIST
Δfus 37.92 kJ/mol Joback Calculated Property
Δvap 76.84 kJ/mol Joback Calculated Property
log10WS -4.57 Crippen Calculated Property
logPoct/wat 3.479 Crippen Calculated Property
McVol 186.740 ml/mol McGowan Calculated Property
Pc 2643.39 kPa Joback Calculated Property
Tboil 800.23 K Joback Calculated Property
Tc 1065.10 K Joback Calculated Property
Tfus 469.23 K Joback Calculated Property
Vc 0.723 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [510.16; 573.33] J/mol×K [800.23; 1065.10] Show Hide
Cp,gas 510.16 J/mol×K 800.23 Joback Calculated Property
Cp,gas 522.39 J/mol×K 844.37 Joback Calculated Property
Cp,gas 533.71 J/mol×K 888.52 Joback Calculated Property
Cp,gas 544.29 J/mol×K 932.66 Joback Calculated Property
Cp,gas 554.31 J/mol×K 976.81 Joback Calculated Property
Cp,gas 563.93 J/mol×K 1020.95 Joback Calculated Property
Cp,gas 573.33 J/mol×K 1065.10 Joback Calculated Property

Similar Compounds

3,4-Dioxymethylenebenzylidene-p-chlorophenylacetonitrile. 3,4-Dioxymethylene-p-isopropylphenylacetonitrile. Benzene, 1-methoxy-4-(2-cyano-2-phenylethenyl). p-Methoxybenzylidene-p-chlorophenylacetonitrile. 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-. Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-. 1,3-Benzodioxole, 5-(1-propenyl)-. 2-Propenal, 3-(1,3-benzodioxol-5-yl)-. (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate. 3,4-Methylenedioxybenzylidene acetone. 3,4-Methylenedioxycinnamic acid. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylnona-2,4,8-trienamide. 6-(Benzo[d][1,3]dioxol-5-yl)hexa-3,5-dien-2-one. (E)-3-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one.

Find more compounds similar to 3,4-Dioxymethylenebenzylidenephenylacetonitrile.

Sources

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