Chemical Properties of DL-Alanine, N-methyl-N-hexyloxycarbonyl-, hexyl ester

InChI

InChI=1S/C17H33NO4/c1-5-7-9-11-13-21-16(19)15(3)18(4)17(20)22-14-12-10-8-6-2/h15H,5-14H2,1-4H3

InChI Key

YOLAHOPAAGUBQB-UHFFFAOYSA-N

Formula

C17H33NO4

SMILES

CCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

315.45

• 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	-977.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.02	kJ/mol	Joback Calculated Property
ΔvapH°	93.75	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	4.147		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1245.09	kPa	Joback Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	584.88	K	Relay (1.0) Calculated Property
Tc	775.75	K	Relay (1.0) Calculated Property
Tfus	265.69	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	[817.59; 909.53]	J/mol×K	[717.00; 890.43]
Cp,gas	817.59	J/mol×K	717.00	Joback Calculated Property
Cp,gas	835.25	J/mol×K	745.91	Joback Calculated Property
Cp,gas	851.96	J/mol×K	774.81	Joback Calculated Property
Cp,gas	867.72	J/mol×K	803.72	Joback Calculated Property
Cp,gas	882.56	J/mol×K	832.62	Joback Calculated Property
Cp,gas	896.49	J/mol×K	861.53	Joback Calculated Property
Cp,gas	909.53	J/mol×K	890.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-hexyloxycarbonyl-, hexyl 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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