Chemical Properties of DL-Phenylalanine (CAS 150-30-1)

DL-Phenylalanine

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InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChI Key
COLNVLDHVKWLRT-UHFFFAOYSA-N
Formula
C9H11NO2
SMILES
NC(Cc1ccccc1)C(=O)O
Molecular Weight1
165.19
CAS
150-30-1
Other Names
  • (.+/-.)-Phenylalanine
  • 2-Amino-3-phenylpropionic acid, dl-
  • Alanine, phenyl-, DL-
  • DL-2-Amino-3-phenylpropanoic acid
  • DL-3-Phenylalanine
  • DL-«alpha»-Amino-«beta»-phenylpropionic acid
  • DL-«beta»-Phenyl-«alpha»-alanine
  • DL-«beta»-Phenylalanine
  • DLPA
  • L-Phenylalanine
  • NSC 9959
  • Phenylalanine
  • «beta»-Phenylalanine, dl-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4653.00 ± 2.50 kJ/mol NIST
Δcsolid -4664.30 kJ/mol NIST
Δf -64.42 kJ/mol Joback Calculated Property
Δfgas -228.86 kJ/mol Joback Calculated Property
Δfsolid -460.60 ± 2.60 kJ/mol NIST
Δfus 20.47 kJ/mol Joback Calculated Property
Δvap 71.58 kJ/mol Joback Calculated Property
IE [8.40; 9.40] eV Show Hide
IE 8.40 eV NIST
IE 8.50 eV NIST
IE 8.40 eV NIST
IE 8.40 eV NIST
IE 8.90 eV NIST
IE 9.40 eV NIST
logPoct/wat 0.64 Crippen Calculated Property
Pc 4266.28 kPa Joback Calculated Property
Tboil 650.14 K Joback Calculated Property
Tc 865.09 K Joback Calculated Property
Tfus 396.62 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 335.03 J/mol×K 650.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 5
-OH (alcohol) 1
-NH2 1
=C< (ring) 1
-CH2- 1
>C=O (nonring) 1

Similar Compounds

Phenylalanine. 2-Amino-3-(4-hydroxyphenyl)-propanoic acid. Tyrosine. Tyrosine. Alanine, n-amino-3-phenyl-, dl-. Phenylalanine, N,N-dimethyl-. N-methyl tyrosine. 3-Phenylpropanoic acid. Levodopa. Dihydroxyphenylalanine. Phenylalanine, mono-TMS. p-Methylhydrocinnamic acid. L-phenylalanine, n-acetyl-. 3-Phenylpropanoic acid methyl ester. Dextroamphetamine.

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