Chemical Properties of Benzylamine (CAS 100-46-9)

Benzylamine

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InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChI Key
WGQKYBSKWIADBV-UHFFFAOYSA-N
Formula
C7H9N
SMILES
NCc1ccccc1
Molecular Weight1
107.15
CAS
100-46-9
Other Names
  • (Aminomethyl)benzene
  • (Phenylmethyl)amine
  • Benzenemethanamine
  • Monobenzylamine
  • N-Benzylamine
  • NSC 8046
  • Sumine 2005
  • «alpha»-Aminotoluene
  • «omega»-Aminotoluene
Sources

Physical Properties

Property Value Unit Source
PAff 913.30 kJ/mol NIST
PAff 922.70 ± 7.80 kJ/mol NIST
PAff 924.00 ± 4.00 kJ/mol NIST
BasG 879.40 kJ/mol NIST
Δcliquid -4075.00 ± 1.70 kJ/mol NIST
Δcliquid -4058.00 kJ/mol NIST
SProt -3.00 ± 10.00 J/mol×K NIST
Δf 186.92 kJ/mol Joback Calculated Property
Δfgas 87.80 ± 2.70 kJ/mol NIST
Δfgas 56.60 kJ/mol NIST
Δfliquid 34.20 ± 1.70 kJ/mol NIST
Δfliquid 3.00 kJ/mol NIST
Δfus 13.12 kJ/mol Joback Calculated Property
Δvap [53.60; 60.16] kJ/mol Show Hide
Δvap 60.16 kJ/mol NIST
Δvap 54.60 ± 0.30 kJ/mol NIST
Δvap 54.00 ± 2.00 kJ/mol NIST
Δvap 53.60 kJ/mol NIST
IE [8.49; 9.46] eV Show Hide
IE 8.49 ± 0.06 eV NIST
IE 8.80 eV NIST
IE 8.73 eV NIST
IE 8.64 ± 0.05 eV NIST
IE 9.46 eV NIST
IE 9.10 ± 0.01 eV NIST
logPoct/wat 1.145 Crippen Calculated Property
Pc 4432.62 kPa Joback Calculated Property
Tboil [358.00; 458.15] K Show Hide
Tboil 363.20 K NIST
Tboil 363.00 K NIST
Tboil 456.70 K NIST
Tboil 457.00 K NIST
Tboil 458.00 K NIST
Tboil 358.00 ± 2.00 K NIST
Tboil 458.15 ± 0.30 K NIST
Tboil 457.65 ± 0.50 K NIST
Tc 685.40 K Joback Calculated Property
Tfus 278.33 K Joback Calculated Property
Vc 0.348 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 187.78 J/mol×K 458.77 Joback Calculated Property
Cp,liquid 207.18 J/mol×K 298.15 NIST
ΔvapH 52.70 ± 0.30 kJ/mol 327.5 NIST
ΔvapH 51.80 kJ/mol 380.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 1
=CH- (ring) 5
-NH2 1

Similar Compounds

Phenylmethylammonium chloride. Benzenemethanamine, 4-methyl-. p-Xylylenediamine. Benzenemethanamine, N-methyl-. Benzylhydrazine. Benzene, (isocyanomethyl)-. Benzenemethanamine, 3-methyl-. Benzenemethanamine, N,N-dimethyl-. N,n-dimethylbenzylamine hydrochloride. 1,3-Benzenedimethanamine. N-benzylformamide. Benzenemethanamine, 2-methyl-. Benzyl isocyanate. N,N-Difluorobenzylamine. Benzenemethanamine, N-ethyl-.

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