Chemical Properties of Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro- (CAS 19716-56-4)

Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-

InChI
InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2
InChI Key
YRYCIFUZSUMAAY-UHFFFAOYSA-N
Formula
C16H17N
SMILES
c1ccc(CC2NCCc3ccccc32)cc1
Molecular Weight1
223.31
CAS
19716-56-4
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Physical Properties

Property Value Unit Source
ω 0.4810 Relay (1.0) Calculated Property
ΔfG° 435.39 kJ/mol Joback Calculated Property
ΔfH°gas 233.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.51 kJ/mol Joback Calculated Property
ΔvapH° 98.04 kJ/mol Relay (1.0) Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
log10WS -2.59 Relay (1.0) Calculated Property
logPoct/wat 3.116 Crippen Calculated Property
McVol 187.900 ml/mol McGowan Calculated Property
Pc 2693.00 kPa Joback Calculated Property
Tboil 615.51 K Relay (1.0) Calculated Property
Tc 888.16 K Relay (1.0) Calculated Property
Tfus 365.52 K Relay (1.0) Calculated Property
Vc 0.682 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [507.73; 602.02] J/mol×K [683.38; 941.58] Show Hide
Cp,gas 507.73 J/mol×K 683.38 Joback Calculated Property
Cp,gas 527.03 J/mol×K 726.41 Joback Calculated Property
Cp,gas 544.74 J/mol×K 769.45 Joback Calculated Property
Cp,gas 560.97 J/mol×K 812.48 Joback Calculated Property
Cp,gas 575.86 J/mol×K 855.51 Joback Calculated Property
Cp,gas 589.50 J/mol×K 898.54 Joback Calculated Property
Cp,gas 602.02 J/mol×K 941.58 Joback Calculated Property

Similar Compounds

Apomorphine. THP, TMS. (+)-Roemerine. Actinodaphnine. 1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-. N-Acetylnornarcotine. 17A-11-Dehydroestradiol, TMS. 11-Dehydroestradiol, TMS. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. (R)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. (.+/-.)-Isoboldine. Emetine. N-Acetylnorlaudanosine. Butorphanol di-TMS derivative. N-Desmethylmirtazapine.

Find more compounds similar to Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-.

Sources

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