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

InChI

InChI=1S/C26H49NO4/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/h7,23-24H,2,6,8-22H2,1,3-5H3

InChI Key

ZZIPTHAWGQRJTL-UHFFFAOYSA-N

Formula

C26H49NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

439.67

• 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°	-106.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-887.17	kJ/mol	Joback Calculated Property
ΔfusH°	63.37	kJ/mol	Joback Calculated Property
ΔvapH°	92.38	kJ/mol	Joback Calculated Property
log10WS	-7.70		Crippen Calculated Property
logPoct/wat	7.290		Crippen Calculated Property
McVol	397.760	ml/mol	McGowan Calculated Property
Pc	786.39	kPa	Joback Calculated Property
Inp	[2859.00; 2859.00]
Inp	2859.00		NIST
Inp	2859.00		NIST
Tboil	955.10	K	Joback Calculated Property
Tc	1174.45	K	Joback Calculated Property
Tfus	527.81	K	Joback Calculated Property
Vc	1.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1361.12; 1462.40]	J/mol×K	[955.10; 1174.45]
Cp,gas	1361.12	J/mol×K	955.10	Joback Calculated Property
Cp,gas	1381.83	J/mol×K	991.66	Joback Calculated Property
Cp,gas	1400.92	J/mol×K	1028.22	Joback Calculated Property
Cp,gas	1418.46	J/mol×K	1064.78	Joback Calculated Property
Cp,gas	1434.50	J/mol×K	1101.33	Joback Calculated Property
Cp,gas	1449.13	J/mol×K	1137.89	Joback Calculated Property
Cp,gas	1462.40	J/mol×K	1174.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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