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

InChI

InChI=1S/C25H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26(5)25(28)30-20-9-7-2/h7,22-23H,2,6,8-21H2,1,3-5H3

InChI Key

MWYUIOCSCNSSBZ-UHFFFAOYSA-N

Formula

C25H47NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

425.64

• 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°	-114.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.53	kJ/mol	Joback Calculated Property
ΔfusH°	60.77	kJ/mol	Joback Calculated Property
ΔvapH°	90.15	kJ/mol	Joback Calculated Property
log10WS	-7.28		Crippen Calculated Property
logPoct/wat	6.900		Crippen Calculated Property
McVol	383.670	ml/mol	McGowan Calculated Property
Pc	830.50	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	932.22	K	Joback Calculated Property
Tc	1143.64	K	Joback Calculated Property
Tfus	516.54	K	Joback Calculated Property
Vc	1.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1297.29; 1396.92]	J/mol×K	[932.22; 1143.64]
Cp,gas	1297.29	J/mol×K	932.22	Joback Calculated Property
Cp,gas	1317.45	J/mol×K	967.46	Joback Calculated Property
Cp,gas	1336.11	J/mol×K	1002.69	Joback Calculated Property
Cp,gas	1353.33	J/mol×K	1037.93	Joback Calculated Property
Cp,gas	1369.17	J/mol×K	1073.17	Joback Calculated Property
Cp,gas	1383.68	J/mol×K	1108.40	Joback Calculated Property
Cp,gas	1396.92	J/mol×K	1143.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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