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

InChI

InChI=1S/C28H53NO4/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/h7,25-26H,2,6,8-24H2,1,3-5H3

InChI Key

HRPBNPCGWNWHBN-UHFFFAOYSA-N

Formula

C28H53NO4

SMILES

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

Molecular Weight¹

467.72

• 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°	-89.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.45	kJ/mol	Joback Calculated Property
ΔfusH°	68.55	kJ/mol	Joback Calculated Property
ΔvapH°	96.83	kJ/mol	Joback Calculated Property
log10WS	-8.54		Crippen Calculated Property
logPoct/wat	8.070		Crippen Calculated Property
McVol	425.940	ml/mol	McGowan Calculated Property
Pc	708.09	kPa	Joback Calculated Property
Inp	[3066.00; 3066.00]
Inp	3066.00		NIST
Inp	3066.00		NIST
Tboil	1000.86	K	Joback Calculated Property
Tc	1239.79	K	Joback Calculated Property
Tfus	550.35	K	Joback Calculated Property
Vc	1.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1490.00; 1594.81]	J/mol×K	[1000.86; 1239.79]
Cp,gas	1490.00	J/mol×K	1000.86	Joback Calculated Property
Cp,gas	1511.97	J/mol×K	1040.68	Joback Calculated Property
Cp,gas	1532.02	J/mol×K	1080.50	Joback Calculated Property
Cp,gas	1550.23	J/mol×K	1120.33	Joback Calculated Property
Cp,gas	1566.70	J/mol×K	1160.15	Joback Calculated Property
Cp,gas	1581.53	J/mol×K	1199.97	Joback Calculated Property
Cp,gas	1594.81	J/mol×K	1239.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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