Chemical Properties of l-Leucine, N-methyl-n-propoxycarbonyl-, butyl ester

InChI

InChI=1S/C15H29NO4/c1-6-8-10-19-14(17)13(11-12(3)4)16(5)15(18)20-9-7-2/h12-13H,6-11H2,1-5H3

InChI Key

MGQQLIZADNXVLK-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

CCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCC

Molecular Weight¹

287.40

• C_p,gas : Ideal gas 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-932.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.32	kJ/mol	Joback Calculated Property
ΔvapH°	81.61	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1441.35	kPa	Joback Calculated Property
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	573.16	K	Relay (1.0) Calculated Property
Tc	738.56	K	Relay (1.0) Calculated Property
Tfus	231.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[704.16; 794.13]	J/mol×K	[670.80; 845.38]
Cp,gas	704.16	J/mol×K	670.80	Joback Calculated Property
Cp,gas	721.38	J/mol×K	699.90	Joback Calculated Property
Cp,gas	737.68	J/mol×K	728.99	Joback Calculated Property
Cp,gas	753.10	J/mol×K	758.09	Joback Calculated Property
Cp,gas	767.63	J/mol×K	787.19	Joback Calculated Property
Cp,gas	781.31	J/mol×K	816.28	Joback Calculated Property
Cp,gas	794.13	J/mol×K	845.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-methyl-n-propoxycarbonyl-, butyl ester.

Sources

• Cheméo Relay (1.0)
• 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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