Chemical Properties of 2-[1-Naphthyl]-3-oxobutyronitrile (CAS 31573-38-3)

2-[1-Naphthyl]-3-oxobutyronitrile

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InChI
InChI=1S/C14H11NO/c1-10(16)14(9-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,1H3
InChI Key
XTTACCFJXCXIIH-UHFFFAOYSA-N
Formula
C14H12O
SMILES
CC(=O)C(C#N)c1cccc2ccccc12
Molecular Weight1
196.24
CAS
31573-38-3
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Physical Properties

Property Value Unit Source
Δf 278.25 kJ/mol Joback Calculated Property
Δfgas 130.86 kJ/mol Joback Calculated Property
Δfus 22.27 kJ/mol Joback Calculated Property
Δvap 68.17 kJ/mol Joback Calculated Property
log10WS -4.03 Crippen Calculated Property
logPoct/wat 3.036 Crippen Calculated Property
McVol 167.850 ml/mol McGowan Calculated Property
Pc 2616.41 kPa Joback Calculated Property
Tboil 725.87 K Joback Calculated Property
Tc 971.64 K Joback Calculated Property
Tfus 419.10 K Joback Calculated Property
Vc 0.659 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [430.69; 489.97] J/mol×K [725.87; 971.64] Show Hide
Cp,gas 430.69 J/mol×K 725.87 Joback Calculated Property
Cp,gas 442.64 J/mol×K 766.83 Joback Calculated Property
Cp,gas 453.64 J/mol×K 807.79 Joback Calculated Property
Cp,gas 463.78 J/mol×K 848.75 Joback Calculated Property
Cp,gas 473.16 J/mol×K 889.72 Joback Calculated Property
Cp,gas 481.85 J/mol×K 930.68 Joback Calculated Property
Cp,gas 489.97 J/mol×K 971.64 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 417.00 ± 1.00 K 0.01 NIST

Similar Compounds

2,4-Pentanedione, 3-phenyl-. 2-Butanone, 3-phenyl-. 1,3-Diphenyl-2,4-pentanedione. sec-hexadecylnaphthalene. Butanenitrile, 2-phenyl. 4-(1-Methylpropyl)isoquinoline. Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)-. Butyric acid, 2-phenyl-, but-3-yn-2-yl ester. 2-Phenylvaleronitrile. 2-Naphthylpropionic acid. Butyric acid, 2-phenyl-, 1,1,1-trifluoroprop-2-yl ester. Benzeneacetaldehyde, «alpha»-ethyl-. Butyric acid, 2-phenyl-, naphth-2-ylmethyl ester. Butyric acid, 2-phenyl-, isopropyl ester. 5,16:8,13-Diethenodibenzo[a,g]cyclododecane, 6,7,14,15-tetrahydro.

Find more compounds similar to 2-[1-Naphthyl]-3-oxobutyronitrile.

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