Chemical Properties of DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, pentadecyl ester

InChI

InChI=1S/C26H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27(5)26(29)31-21-9-7-2/h23-24H,6,8,10-22H2,1-5H3

InChI Key

HOTXVBFHEXJUNH-UHFFFAOYSA-N

Formula

C26H47NO4

SMILES

CC#CCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

437.66

• 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°	8.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-740.30	kJ/mol	Joback Calculated Property
ΔfusH°	67.77	kJ/mol	Joback Calculated Property
ΔvapH°	95.20	kJ/mol	Joback Calculated Property
log10WS	-7.64		Crippen Calculated Property
logPoct/wat	6.737		Crippen Calculated Property
McVol	393.460	ml/mol	McGowan Calculated Property
Pc	841.13	kPa	Joback Calculated Property
Inp	[2937.00; 2937.00]
Inp	2937.00		NIST
Inp	2937.00		NIST
Tboil	967.42	K	Joback Calculated Property
Tc	1186.15	K	Joback Calculated Property
Tfus	635.67	K	Joback Calculated Property
Vc	1.508	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1336.16; 1430.72]	J/mol×K	[967.42; 1186.15]
Cp,gas	1336.16	J/mol×K	967.42	Joback Calculated Property
Cp,gas	1355.72	J/mol×K	1003.88	Joback Calculated Property
Cp,gas	1373.68	J/mol×K	1040.33	Joback Calculated Property
Cp,gas	1390.11	J/mol×K	1076.79	Joback Calculated Property
Cp,gas	1405.06	J/mol×K	1113.24	Joback Calculated Property
Cp,gas	1418.57	J/mol×K	1149.70	Joback Calculated Property
Cp,gas	1430.72	J/mol×K	1186.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, pentadecyl ester.

Sources

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

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