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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9095		Relay (1.0) Calculated Property
ΔfG°	-267.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-977.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.86	kJ/mol	Joback Calculated Property
ΔvapH°	92.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	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	1320.39	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	771.57	K	Relay (1.0) Calculated Property
Tfus	268.17	K	Relay (1.0) Calculated Property
Vc	1.047	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.53; 923.84]	J/mol×K	[752.94; 931.93]
Cp,gas	833.53	J/mol×K	752.94	Joback Calculated Property
Cp,gas	850.85	J/mol×K	782.77	Joback Calculated Property
Cp,gas	867.25	J/mol×K	812.60	Joback Calculated Property
Cp,gas	882.72	J/mol×K	842.44	Joback Calculated Property
Cp,gas	897.31	J/mol×K	872.27	Joback Calculated Property
Cp,gas	911.01	J/mol×K	902.10	Joback Calculated Property
Cp,gas	923.84	J/mol×K	931.93	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

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