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

InChI

InChI=1S/C22H41NO4/c1-6-8-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23(5)22(25)27-17-9-7-2/h7,19-20H,2,6,8-18H2,1,3-5H3

InChI Key

DVWQOCNCZSSWGP-UHFFFAOYSA-N

Formula

C22H41NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCC)C(C)C

Molecular Weight¹

383.57

• 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°	-139.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-804.61	kJ/mol	Joback Calculated Property
ΔfusH°	53.01	kJ/mol	Joback Calculated Property
ΔvapH°	83.47	kJ/mol	Joback Calculated Property
log10WS	-6.03		Crippen Calculated Property
logPoct/wat	5.730		Crippen Calculated Property
McVol	341.400	ml/mol	McGowan Calculated Property
Pc	987.64	kPa	Joback Calculated Property
Inp	[2459.00; 2459.00]
Inp	2459.00		NIST
Inp	2459.00		NIST
Tboil	863.58	K	Joback Calculated Property
Tc	1057.59	K	Joback Calculated Property
Tfus	482.73	K	Joback Calculated Property
Vc	1.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1108.85; 1203.96]	J/mol×K	[863.58; 1057.59]
Cp,gas	1108.85	J/mol×K	863.58	Joback Calculated Property
Cp,gas	1127.61	J/mol×K	895.91	Joback Calculated Property
Cp,gas	1145.17	J/mol×K	928.25	Joback Calculated Property
Cp,gas	1161.54	J/mol×K	960.58	Joback Calculated Property
Cp,gas	1176.77	J/mol×K	992.92	Joback Calculated Property
Cp,gas	1190.90	J/mol×K	1025.25	Joback Calculated Property
Cp,gas	1203.96	J/mol×K	1057.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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