Chemical Properties of DL-Valine, N-methyl-N-hexyloxycarbonyl-, undecyl ester

InChI

InChI=1S/C24H47NO4/c1-6-8-10-12-13-14-15-16-18-19-28-23(26)22(21(3)4)25(5)24(27)29-20-17-11-9-7-2/h21-22H,6-20H2,1-5H3

InChI Key

AGNLWSZYFMBGSI-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCC

Molecular Weight¹

413.63

• 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°	-210.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.32	kJ/mol	Joback Calculated Property
ΔfusH°	59.46	kJ/mol	Joback Calculated Property
ΔvapH°	88.60	kJ/mol	Joback Calculated Property
log10WS	-7.01		Crippen Calculated Property
logPoct/wat	6.734		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	856.97	kPa	Joback Calculated Property
Inp	[2632.00; 2632.00]
Inp	2632.00		NIST
Inp	2632.00		NIST
Tboil	912.66	K	Joback Calculated Property
Tc	1118.65	K	Joback Calculated Property
Tfus	507.03	K	Joback Calculated Property
Vc	1.433	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1263.02; 1363.40]	J/mol×K	[912.66; 1118.65]
Cp,gas	1263.02	J/mol×K	912.66	Joback Calculated Property
Cp,gas	1283.26	J/mol×K	946.99	Joback Calculated Property
Cp,gas	1302.04	J/mol×K	981.32	Joback Calculated Property
Cp,gas	1319.40	J/mol×K	1015.66	Joback Calculated Property
Cp,gas	1335.38	J/mol×K	1049.99	Joback Calculated Property
Cp,gas	1350.03	J/mol×K	1084.32	Joback Calculated Property
Cp,gas	1363.40	J/mol×K	1118.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-hexyloxycarbonyl-, undecyl ester.

Sources

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

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