Chemical Properties of DL-Valine, N-methyl-N-(but-2-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/h21-22H,6,8,10-20H2,1-5H3

InChI Key

GOKDBURXVVYGMT-UHFFFAOYSA-N

Formula

C24H43NO4

SMILES

CC#CCOC(=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°	-7.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.02	kJ/mol	Joback Calculated Property
ΔfusH°	62.59	kJ/mol	Joback Calculated Property
ΔvapH°	90.75	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	943.26	kPa	Joback Calculated Property
Inp	[2736.00; 2736.00]
Inp	2736.00		NIST
Inp	2736.00		NIST
Tboil	921.66	K	Joback Calculated Property
Tc	1128.38	K	Joback Calculated Property
Tfus	613.13	K	Joback Calculated Property
Vc	1.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1209.77; 1302.60]	J/mol×K	[921.66; 1128.38]
Cp,gas	1209.77	J/mol×K	921.66	Joback Calculated Property
Cp,gas	1228.58	J/mol×K	956.11	Joback Calculated Property
Cp,gas	1246.00	J/mol×K	990.57	Joback Calculated Property
Cp,gas	1262.07	J/mol×K	1025.02	Joback Calculated Property
Cp,gas	1276.84	J/mol×K	1059.48	Joback Calculated Property
Cp,gas	1290.33	J/mol×K	1093.93	Joback Calculated Property
Cp,gas	1302.60	J/mol×K	1128.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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