Chemical Properties of Isoquinoline (CAS 119-65-3)

Isoquinoline

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InChI
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChI Key
AWJUIBRHMBBTKR-UHFFFAOYSA-N
Formula
C9H7N
SMILES
c1ccc2cnccc2c1
Molecular Weight1
129.16
CAS
119-65-3
Other Names
  • 2-Azanaphthalene
  • 2-Benzanine
  • 2-Benzazine
  • Benzo[c]pyridine
  • Benzopyridine
  • Isochinolin
  • Leucoline
  • NSC 3395
  • «beta»-Quinoline
Sources

Physical Properties

Property Value Unit Source
PAff 951.70 kJ/mol NIST
BasG 919.90 kJ/mol NIST
Δcliquid -4686.46 ± 0.75 kJ/mol NIST
Δcliquid -4686.46 ± 0.75 kJ/mol NIST
Δfgas 204.61 kJ/mol NIST
Δfgas 204.00 kJ/mol NIST
Δfliquid 145.10 ± 0.88 kJ/mol NIST
Δfliquid 144.50 ± 0.84 kJ/mol NIST
Δvap 59.50 kJ/mol NIST
IE [8.50; 8.55] eV Show Hide
IE 8.53 ± 0.02 eV NIST
IE 8.50 eV NIST
IE 8.50 eV NIST
IE 8.54 eV NIST
IE 8.55 ± 0.02 eV NIST
IE 8.53 ± 0.05 eV NIST
IE 8.54 eV NIST
logPoct/wat 2.23 Crippen Calculated Property
liquid 215.98 J/mol×K NIST
solid,1 bar 171.06 J/mol×K NIST
Tboil [415.20; 516.40] K Show Hide
Tboil Outlier 415.20 K NIST
Tboil 515.20 K NIST
Tboil 516.40 ± 0.15 K NIST
Tboil 513.65 ± 0.60 K NIST
Tboil 516.39 ± 0.07 K NIST
Tboil 513.45 ± 0.60 K NIST
Tboil 514.65 ± 2.00 K NIST
Tboil 515.45 ± 0.40 K NIST
Tboil 515.65 ± 0.60 K NIST
Tc 803.15 ± 7.50 K NIST
Tfus [294.85; 299.63] K Show Hide
Tfus 297.90 ± 0.20 K NIST
Tfus 299.15 ± 1.00 K NIST
Tfus 297.40 ± 0.60 K NIST
Tfus 297.15 ± 0.50 K NIST
Tfus 296.65 ± 0.70 K NIST
Tfus 299.63 ± 0.20 K NIST
Tfus 297.40 ± 0.50 K NIST
Tfus 296.75 ± 1.00 K NIST
Tfus 294.85 ± 1.50 K NIST
Ttriple 299.62 ± 0.03 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 196.16 J/mol×K 298.15 NIST
Cp,solid 177.68 J/mol×K 298.15 NIST
ΔfusH 13.54 kJ/mol 299.6 NIST
ΔfusH 13.54 kJ/mol 299.6 NIST
ΔvapH [47.00; 58.90] kJ/mol [439.50; 478.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 58.90 ± 0.10 kJ/mol 439.5 NIST
ΔvapH 56.40 ± 0.10 kJ/mol 439.5 NIST
ΔvapH 54.10 ± 0.10 kJ/mol 439.5 NIST
ΔvapH 51.70 ± 0.10 kJ/mol 439.5 NIST
ΔvapH 49.40 ± 0.20 kJ/mol 439.5 NIST
ΔvapH 47.00 ± 0.30 kJ/mol 439.5 NIST
ΔvapH 51.00 kJ/mol 478.0 NIST

Similar Compounds

Isoquinoline hydrochloride. 2-Azaheptahelicene. 2-Azahexahelicene. 2-Azaoctahelicene. 5,6-Benzoisoquinoline. 2-Azachrysene. 4-Azachrysene. 2-Azapyrene. Isoquinoline, 2-oxide. Benzo[h]quinoline. Isoquinoline, 3-methyl-. Benzo[f]quinoline. 5,6-Benzoquinoline hydrochloride. Naphtho(2,1-f)quinoline. Phenanthridine.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.