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

InChI

InChI=1S/C24H43NO4/c1-6-8-10-11-12-13-14-15-16-17-18-20-28-23(26)22(21(3)4)25(5)24(27)29-19-9-7-2/h2,21-22H,6,8-20H2,1,3-5H3

InChI Key

UELGDAIDYYKXHT-UHFFFAOYSA-N

Formula

C24H43NO4

SMILES

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

Molecular Weight¹

409.60

• 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°	12.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-679.42	kJ/mol	Joback Calculated Property
ΔfusH°	62.44	kJ/mol	Joback Calculated Property
ΔvapH°	88.46	kJ/mol	Joback Calculated Property
log10WS	-6.81		Crippen Calculated Property
logPoct/wat	5.957		Crippen Calculated Property
McVol	365.280	ml/mol	McGowan Calculated Property
Pc	936.35	kPa	Joback Calculated Property
Inp	[2650.00; 2650.00]
Inp	2650.00		NIST
Inp	2650.00		NIST
Tboil	902.78	K	Joback Calculated Property
Tc	1105.26	K	Joback Calculated Property
Tfus	554.00	K	Joback Calculated Property
Vc	1.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1202.75; 1298.11]	J/mol×K	[902.78; 1105.26]
Cp,gas	1202.75	J/mol×K	902.78	Joback Calculated Property
Cp,gas	1221.74	J/mol×K	936.53	Joback Calculated Property
Cp,gas	1239.43	J/mol×K	970.27	Joback Calculated Property
Cp,gas	1255.87	J/mol×K	1004.02	Joback Calculated Property
Cp,gas	1271.10	J/mol×K	1037.77	Joback Calculated Property
Cp,gas	1285.16	J/mol×K	1071.52	Joback Calculated Property
Cp,gas	1298.11	J/mol×K	1105.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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