Chemical Properties of N-Acetyl-D-leucine amide (CAS 16624-68-3)

InChI

InChI=1S/C8H16N2O2/c1-5(2)4-7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t7-/m1/s1

InChI Key

PHPXQAHAQREGGN-SSDOTTSWSA-N

Formula

C8H16N2O2

SMILES

CC(=O)NC(CC(C)C)C(N)=O

Molecular Weight¹

172.22

CAS

16624-68-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (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 formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[380.15; 444.69]	J/mol×K	[612.20; 816.40]
Cp,gas	380.15	J/mol×K	612.20	Joback Calculated Property
Cp,gas	392.60	J/mol×K	646.23	Joback Calculated Property
Cp,gas	404.35	J/mol×K	680.27	Joback Calculated Property
Cp,gas	415.41	J/mol×K	714.30	Joback Calculated Property
Cp,gas	425.81	J/mol×K	748.33	Joback Calculated Property
Cp,gas	435.56	J/mol×K	782.36	Joback Calculated Property
Cp,gas	444.69	J/mol×K	816.40	Joback Calculated Property
ΔfusH	[20.20; 20.20]	kJ/mol	[404.00; 404.00]
ΔfusH	20.20	kJ/mol	404.00	NIST
ΔfusH	20.20	kJ/mol	404.00	NIST
ΔfusH	20.20	kJ/mol	404.00	NIST
ΔsubH	[101.00; 114.80]	kJ/mol	[387.50; 393.00]
ΔsubH	101.00 ± 3.00	kJ/mol	387.50	NIST
ΔsubH	114.80 ± 0.30	kJ/mol	393.00	NIST
ΔfusS	50.00	J/mol×K	404.00	NIST

Similar Compounds

Find more compounds similar to N-Acetyl-D-leucine amide.

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
• 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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