Chemical Properties of DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, heptadecyl ester

InChI

InChI=1S/C28H51NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)26(25(3)4)29(5)28(31)33-23-9-7-2/h2,25-26H,6,8-24H2,1,3-5H3

InChI Key

AHWNKMWQJKRQOU-UHFFFAOYSA-N

Formula

C28H51NO4

SMILES

C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

465.71

• 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°	46.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.98	kJ/mol	Joback Calculated Property
ΔfusH°	72.80	kJ/mol	Joback Calculated Property
ΔvapH°	97.36	kJ/mol	Joback Calculated Property
log10WS	-8.48		Crippen Calculated Property
logPoct/wat	7.517		Crippen Calculated Property
McVol	421.640	ml/mol	McGowan Calculated Property
Pc	749.79	kPa	Joback Calculated Property
Inp	[3055.00; 3055.00]
Inp	3055.00		NIST
Inp	3055.00		NIST
Tboil	994.30	K	Joback Calculated Property
Tc	1226.46	K	Joback Calculated Property
Tfus	599.08	K	Joback Calculated Property
Vc	1.619	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1457.12; 1559.06]	J/mol×K	[994.30; 1226.46]
Cp,gas	1457.12	J/mol×K	994.30	Joback Calculated Property
Cp,gas	1478.19	J/mol×K	1032.99	Joback Calculated Property
Cp,gas	1497.51	J/mol×K	1071.69	Joback Calculated Property
Cp,gas	1515.17	J/mol×K	1110.38	Joback Calculated Property
Cp,gas	1531.25	J/mol×K	1149.07	Joback Calculated Property
Cp,gas	1545.86	J/mol×K	1187.77	Joback Calculated Property
Cp,gas	1559.06	J/mol×K	1226.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, heptadecyl ester.

Sources

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

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