Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, 2-methylhex-3-yl ester

InChI

InChI=1S/C16H27NO4/c1-7-9-11-20-16(19)17(6)13(5)15(18)21-14(10-8-2)12(3)4/h12-14H,8,10-11H2,1-6H3

InChI Key

RIIMPLQMBBFMSY-UHFFFAOYSA-N

Formula

C16H27NO4

SMILES

CC#CCOC(=O)N(C)C(C)C(=O)OC(CCC)C(C)C

Molecular Weight¹

297.39

• 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°	-77.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-539.18	kJ/mol	Joback Calculated Property
ΔfusH°	38.34	kJ/mol	Joback Calculated Property
ΔvapH°	72.55	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	2.834		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[1895.00; 1895.00]
Inp	1895.00		NIST
Inp	1895.00		NIST
Tboil	738.18	K	Joback Calculated Property
Tc	933.55	K	Joback Calculated Property
Tfus	507.97	K	Joback Calculated Property
Vc	0.942	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.47; 816.68]	J/mol×K	[738.18; 933.55]
Cp,gas	730.47	J/mol×K	738.18	Joback Calculated Property
Cp,gas	747.25	J/mol×K	770.74	Joback Calculated Property
Cp,gas	763.05	J/mol×K	803.30	Joback Calculated Property
Cp,gas	777.87	J/mol×K	835.86	Joback Calculated Property
Cp,gas	791.75	J/mol×K	868.43	Joback Calculated Property
Cp,gas	804.67	J/mol×K	900.99	Joback Calculated Property
Cp,gas	816.68	J/mol×K	933.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, 2-methylhex-3-yl ester.

Sources

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

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