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

InChI

InChI=1S/C27H51NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-31-26(29)25(24(3)4)28(5)27(30)32-22-9-7-2/h7,24-25H,2,6,8-23H2,1,3-5H3

InChI Key

KTKGQOWVVCNRLT-UHFFFAOYSA-N

Formula

C27H51NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

453.70

• 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°	-97.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-907.81	kJ/mol	Joback Calculated Property
ΔfusH°	65.96	kJ/mol	Joback Calculated Property
ΔvapH°	94.61	kJ/mol	Joback Calculated Property
log10WS	-8.12		Crippen Calculated Property
logPoct/wat	7.680		Crippen Calculated Property
McVol	411.850	ml/mol	McGowan Calculated Property
Pc	745.70	kPa	Joback Calculated Property
Inp	[2962.00; 2962.00]
Inp	2962.00		NIST
Inp	2962.00		NIST
Tboil	977.98	K	Joback Calculated Property
Tc	1206.47	K	Joback Calculated Property
Tfus	539.08	K	Joback Calculated Property
Vc	1.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1425.37; 1528.38]	J/mol×K	[977.98; 1206.47]
Cp,gas	1425.37	J/mol×K	977.98	Joback Calculated Property
Cp,gas	1446.69	J/mol×K	1016.06	Joback Calculated Property
Cp,gas	1466.24	J/mol×K	1054.14	Joback Calculated Property
Cp,gas	1484.10	J/mol×K	1092.23	Joback Calculated Property
Cp,gas	1500.36	J/mol×K	1130.31	Joback Calculated Property
Cp,gas	1515.09	J/mol×K	1168.39	Joback Calculated Property
Cp,gas	1528.38	J/mol×K	1206.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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