Chemical Properties of DL-Valine, N-methyl-N-(but-2-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/h18-19H,6,8,10-17H2,1-5H3

InChI Key

GFQPBIDQJSVXFD-UHFFFAOYSA-N

Formula

C21H37NO4

SMILES

CC#CCOC(=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°	-33.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-637.10	kJ/mol	Joback Calculated Property
ΔfusH°	54.82	kJ/mol	Joback Calculated Property
ΔvapH°	84.07	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	1135.20	kPa	Joback Calculated Property
Inp	[2437.00; 2437.00]
Inp	2437.00		NIST
Inp	2437.00		NIST
Tboil	853.02	K	Joback Calculated Property
Tc	1048.91	K	Joback Calculated Property
Tfus	579.32	K	Joback Calculated Property
Vc	1.228	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.22; 1114.59]	J/mol×K	[853.02; 1048.91]
Cp,gas	1024.22	J/mol×K	853.02	Joback Calculated Property
Cp,gas	1042.13	J/mol×K	885.67	Joback Calculated Property
Cp,gas	1058.86	J/mol×K	918.32	Joback Calculated Property
Cp,gas	1074.45	J/mol×K	950.97	Joback Calculated Property
Cp,gas	1088.91	J/mol×K	983.62	Joback Calculated Property
Cp,gas	1102.29	J/mol×K	1016.26	Joback Calculated Property
Cp,gas	1114.59	J/mol×K	1048.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, decyl ester.

Sources

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

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