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

InChI

InChI=1S/C21H37NO4/c1-6-8-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22(5)21(24)26-16-9-7-2/h2,18-19H,6,8-17H2,1,3-5H3

InChI Key

ZUKNCUFUOADQOB-UHFFFAOYSA-N

Formula

C21H37NO4

SMILES

C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCC)C(C)C

Molecular Weight¹

367.52

• 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°	-12.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-617.50	kJ/mol	Joback Calculated Property
ΔfusH°	54.67	kJ/mol	Joback Calculated Property
ΔvapH°	81.78	kJ/mol	Joback Calculated Property
log10WS	-5.55		Crippen Calculated Property
logPoct/wat	4.787		Crippen Calculated Property
McVol	323.010	ml/mol	McGowan Calculated Property
Pc	1126.08	kPa	Joback Calculated Property
Inp	[2341.00; 2341.00]
Inp	2341.00		NIST
Inp	2341.00		NIST
Tboil	834.14	K	Joback Calculated Property
Tc	1024.91	K	Joback Calculated Property
Tfus	520.19	K	Joback Calculated Property
Vc	1.228	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1017.75; 1109.06]	J/mol×K	[834.14; 1024.91]
Cp,gas	1017.75	J/mol×K	834.14	Joback Calculated Property
Cp,gas	1035.61	J/mol×K	865.93	Joback Calculated Property
Cp,gas	1052.37	J/mol×K	897.73	Joback Calculated Property
Cp,gas	1068.06	J/mol×K	929.52	Joback Calculated Property
Cp,gas	1082.72	J/mol×K	961.32	Joback Calculated Property
Cp,gas	1096.37	J/mol×K	993.11	Joback Calculated Property
Cp,gas	1109.06	J/mol×K	1024.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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