Chemical Properties of l-Leucine, n-butoxycarbonyl-N-methyl-, hexyl ester

InChI

InChI=1S/C18H35NO4/c1-6-8-10-11-13-22-17(20)16(14-15(3)4)19(5)18(21)23-12-9-7-2/h15-16H,6-14H2,1-5H3

InChI Key

OXKAUQIWYMSYPZ-UHFFFAOYSA-N

Formula

C18H35NO4

SMILES

CCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCC

Molecular Weight¹

329.47

• 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).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-991.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.09	kJ/mol	Joback Calculated Property
ΔvapH°	92.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Inp	[2014.00; 2014.00]
Inp	2014.00		NIST
Inp	2014.00		NIST
Tboil	595.18	K	Relay (1.0) Calculated Property
Tfus	238.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[876.53; 970.45]	J/mol×K	[739.44; 915.61]
Cp,gas	876.53	J/mol×K	739.44	Joback Calculated Property
Cp,gas	894.69	J/mol×K	768.80	Joback Calculated Property
Cp,gas	911.83	J/mol×K	798.16	Joback Calculated Property
Cp,gas	927.95	J/mol×K	827.53	Joback Calculated Property
Cp,gas	943.08	J/mol×K	856.89	Joback Calculated Property
Cp,gas	957.24	J/mol×K	886.25	Joback Calculated Property
Cp,gas	970.45	J/mol×K	915.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, n-butoxycarbonyl-N-methyl-, hexyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.