Chemical Properties of dl-Citrulline (CAS 627-77-0)

InChI

InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)

InChI Key

RHGKLRLOHDJJDR-UHFFFAOYSA-N

Formula

C6H13N3O3

SMILES

NC(=O)NCCCC(N)C(=O)O

Molecular Weight¹

175.19

CAS

627-77-0

Other Names

• Citrulline
• Citrulline, (dl)
• DL-2-amino-5-ureidovaleric acid
• DL-Ornithine, N(5)-(aminocarbonyl)-
• L-citruline
• N5-aminocarbonyl-L-ornithine
• N5-carbamyl-ornithine
• Ornithine, N5-carbamoyl-, DL-

• 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_fusH° : Enthalpy of fusion at standard conditions (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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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,gas	[384.98; 430.06]	J/mol×K	[731.05; 948.28]
Cp,gas	384.98	J/mol×K	731.05	Joback Calculated Property
Cp,gas	393.96	J/mol×K	767.25	Joback Calculated Property
Cp,gas	402.30	J/mol×K	803.46	Joback Calculated Property
Cp,gas	410.06	J/mol×K	839.66	Joback Calculated Property
Cp,gas	417.24	J/mol×K	875.87	Joback Calculated Property
Cp,gas	423.90	J/mol×K	912.07	Joback Calculated Property
Cp,gas	430.06	J/mol×K	948.28	Joback Calculated Property
Cp,solid	232.80	J/mol×K	300.80	NIST

Similar Compounds

Find more compounds similar to dl-Citrulline.

Mixtures

• Ethanol + dl-Citrulline + Water
• dl-Citrulline + Water

Sources

• 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 and Solution Thermodynamics of the d Form of l-Citrulline in Water + Ethanol Binary Solvent Mixtures
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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