Chemical Properties of Tyrosine (CAS 60-18-4)

InChI

InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1

InChI Key

OUYCCCASQSFEME-MRVPVSSYSA-N

Formula

C9H11NO3

SMILES

NC(Cc1ccc(O)cc1)C(=O)O

Molecular Weight¹

181.19

CAS

60-18-4

Other Names

• (-)-«alpha»-Amino-p-hydroxyhydrocinnamic acid
• (S)-Tyrosine
• (S)-«alpha»-Amino-4-hydroxybenzenepropanoic acid
• 3-(p-hydroxyphenyl)-L-alanine
• 4-HYDROXY-L-PHENYLALANINE
• Benzenepropanoic acid, «alpha»-amino-4-hydroxy-, (S)-
• L-2-Amino-3-p-hydroxyphenylpropanoic acid
• L-Phenylalanine, 4-hydroxy-
• L-p-Tyrosine
• L-tyrosine
• NSC 82624
• Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-
• Tyrosine, L-
• p-Tyrosine
• «alpha»-Amino-«beta»-(4-hydroxyphenyl)propionic acid

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	926.00	kJ/mol	NIST
BasG	892.10	kJ/mol	NIST
ΔcH°solid	[-4481.70; -4428.10]	kJ/mol
ΔcH°solid	-4428.10 ± 1.50	kJ/mol	NIST
ΔcH°solid	-4481.70	kJ/mol	NIST
ΔfH°gas	-450.81	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-685.60 ± 1.50	kJ/mol	NIST
ΔfusH°	30.71	kJ/mol	Joback Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-0.74		Relay (1.0) Calculated Property
logPoct/wat	0.347		Crippen Calculated Property
McVol	137.200	ml/mol	McGowan Calculated Property
S°solid,1 bar	[214.01; 221.80]	J/mol×K
S°solid,1 bar	214.01	J/mol×K	NIST
S°solid,1 bar	221.80	J/mol×K	NIST
Tboil	596.80	K	Relay (1.0) Calculated Property
Tfus	592.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[214.30; 216.44]	J/mol×K	[294.60; 298.15]
Cp,solid	214.30	J/mol×K	294.60	NIST
Cp,solid	216.44	J/mol×K	298.15	NIST
ΔsubH	101.00 ± 8.00	kJ/mol	462.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.72; 434.83]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.87090e+01
Coefficient B			1.05310e+00
Coefficient C			-8.72560e-04
Coefficient D			2.93000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.72	J/mol×K	273.00	Calculated Property
Cp,gas	237.62	J/mol×K	353.78	Calculated Property
Cp,gas	278.19	J/mol×K	434.56	Calculated Property
Cp,gas	312.36	J/mol×K	515.33	Calculated Property
Cp,gas	341.06	J/mol×K	596.11	Calculated Property
Cp,gas	365.20	J/mol×K	676.89	Calculated Property
Cp,gas	385.73	J/mol×K	757.67	Calculated Property
Cp,gas	403.56	J/mol×K	838.44	Calculated Property
Cp,gas	419.61	J/mol×K	919.22	Calculated Property
Cp,gas	434.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tyrosine.

Mixtures

• Tyrosine + Water
• D-Glutamic acid + Tyrosine + Water
• Tyrosine + Methyl Alcohol + Water
• Ethanol + Tyrosine + Water
• 1-Propanol + Tyrosine + Water
• Dimethyl Sulfoxide + Tyrosine + Water
• Tyrosine + Methyl Alcohol
• Ethanol + Tyrosine
• 1-Propanol + Tyrosine
• Dimethyl Sulfoxide + Tyrosine
• Ethyl Acetate + Tyrosine
• 1,2-Ethanediol + Tyrosine
• 2-Propanol + Tyrosine
• Acetonitrile + Tyrosine
• 1-Butanol + Tyrosine
• Formamide, N,N-dimethyl- + Tyrosine

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility of l-tyrosine in aqueous solutions of methanol, ethanol, n-propanol and dimethyl sulfoxide: Experimental determination and preferential solvation analysis
• Volumetric and acoustic studies of l-tyrosine + l-glutamic acid + waterat different temperatures
• Solubility of d-Tryptophan and l-Tyrosine in Several Organic Solvents: Determination and Solvent Effect
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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