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

InChI

InChI=1S/C29H53NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-33-28(31)27(26(3)4)30(5)29(32)34-24-9-7-2/h2,26-27H,6,8-25H2,1,3-5H3

InChI Key

KIIKPNIXTMAUQT-UHFFFAOYSA-N

Formula

C29H53NO4

SMILES

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

Molecular Weight¹

479.74

• 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°	54.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.62	kJ/mol	Joback Calculated Property
ΔfusH°	75.39	kJ/mol	Joback Calculated Property
ΔvapH°	99.59	kJ/mol	Joback Calculated Property
log10WS	-8.90		Crippen Calculated Property
logPoct/wat	7.907		Crippen Calculated Property
McVol	435.730	ml/mol	McGowan Calculated Property
Pc	711.87	kPa	Joback Calculated Property
Inp	[3160.00; 3160.00]
Inp	3160.00		NIST
Inp	3160.00		NIST
Tboil	1017.18	K	Joback Calculated Property
Tc	1259.83	K	Joback Calculated Property
Tfus	610.35	K	Joback Calculated Property
Vc	1.675	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1521.76; 1625.61]	J/mol×K	[1017.18; 1259.83]
Cp,gas	1521.76	J/mol×K	1017.18	Joback Calculated Property
Cp,gas	1543.47	J/mol×K	1057.62	Joback Calculated Property
Cp,gas	1563.29	J/mol×K	1098.06	Joback Calculated Property
Cp,gas	1581.31	J/mol×K	1138.50	Joback Calculated Property
Cp,gas	1597.63	J/mol×K	1178.94	Joback Calculated Property
Cp,gas	1612.37	J/mol×K	1219.38	Joback Calculated Property
Cp,gas	1625.61	J/mol×K	1259.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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