Chemical Properties of 3-Benzylquinoline (CAS 37045-16-2)

3-Benzylquinoline

InChI
InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,11-12H,10H2
InChI Key
QVMSGEZMPYTLKN-UHFFFAOYSA-N
Formula
C16H13N
SMILES
c1ccc(Cc2cnc3ccccc3c2)cc1
Molecular Weight1
219.28
CAS
37045-16-2
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Physical Properties

Property Value Unit Source
ω 0.5151 Relay (1.0) Calculated Property
ΔfG° 365.23 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 309.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 95.85 kJ/mol Relay (1.0) Calculated Property
IE 8.52 eV Relay (1.0) Calculated Property
log10WS -3.95 Relay (1.0) Calculated Property
logPoct/wat 3.826 Crippen Calculated Property
McVol 179.300 ml/mol McGowan Calculated Property
Pc 3251.21 kPa Relay (1.0-beta) Calculated Property
Tboil 652.30 K Relay (1.0) Calculated Property
Tc 927.75 K Relay (1.0) Calculated Property
Tfus 339.00 ± 1.00 K NIST
Vc 0.676 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 499.00 K 2.50 NIST

Similar Compounds

6-Benzylquinoline. 2-Benzylquinoline. 3-(1H-Indol-3-ylmethyl)-1H-indole. Quinoline, 3-methyl-. Quinoline, 3,6-dimethyl-. Quinoline, 3-ethyl-. 2,11-Dibenzylbenzo[b]dipyrido[3,2,1-de:1,2,3-mn]-phenazine-1,12-dione. 11H-Indeno(1,2-b)quinoline. 3,5-dimethylquinoline. Pyridine, 3-(phenylmethyl)-. 3-Methylquinoline-1-oxide. Indole, 3-benzoyl-. Isoquinoline, 1-(phenylmethyl)-. Quinoline, 8-ethyl-. 7-Chloro-3-methyl-quinoline-8-carboxylic acid, ethyl ester.

Find more compounds similar to 3-Benzylquinoline.

Sources

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