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

InChI

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

InChI Key

GEJZLUVDLBSGQP-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

CCCCCCOC(=O)N(C)C(C)C(=O)OCC(C)C

Molecular Weight¹

287.40

• 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).
• 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
ΔfG°	-286.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-785.56	kJ/mol	Joback Calculated Property
ΔfusH°	36.15	kJ/mol	Joback Calculated Property
ΔvapH°	68.56	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[1813.00; 1813.00]
Inp	1813.00		NIST
Inp	1813.00		NIST
Tboil	706.74	K	Joback Calculated Property
Tc	886.30	K	Joback Calculated Property
Tfus	405.60	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.05; 806.88]	J/mol×K	[706.74; 886.30]
Cp,gas	719.05	J/mol×K	706.74	Joback Calculated Property
Cp,gas	735.81	J/mol×K	736.67	Joback Calculated Property
Cp,gas	751.71	J/mol×K	766.59	Joback Calculated Property
Cp,gas	766.75	J/mol×K	796.52	Joback Calculated Property
Cp,gas	780.95	J/mol×K	826.45	Joback Calculated Property
Cp,gas	794.33	J/mol×K	856.38	Joback Calculated Property
Cp,gas	806.88	J/mol×K	886.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-hexyloxycarbonyl-, isobutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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