Chemical Properties of DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, undecyl ester

InChI

InChI=1S/C22H39NO4/c1-6-8-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23(5)22(25)27-17-9-7-2/h19-20H,6,8,10-18H2,1-5H3

InChI Key

MVPOXZYPAHETRO-UHFFFAOYSA-N

Formula

C22H39NO4

SMILES

CC#CCOC(=O)N(C)C(C(=O)OCCCCCCCCCCC)C(C)C

Molecular Weight¹

381.55

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9445		Relay (... Calculated Property
ΔfG°	-24.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-793.53	kJ/mol	Relay (... Calculated Property
ΔfusH°	57.41	kJ/mol	Joback Calculated Property
ΔvapH°	109.68	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-5.41		Relay (... Calculated Property
logPoct/wat	5.177		Crippen Calculated Property
McVol	337.100	ml/mol	McGowan Calculated Property
Pc	1065.18	kPa	Joback Calculated Property
Inp	[2539.00; 2539.00]
Inp	2539.00		NIST
Inp	2539.00		NIST
Tboil	615.52	K	Relay (... Calculated Property
Tc	824.78	K	Relay (... Calculated Property
Tfus	313.71	K	Relay (... Calculated Property
Vc	1.220	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1085.46; 1176.64]	J/mol×K	[875.90; 1074.54]
Cp,gas	1085.46	J/mol×K	875.90	Joback Calculated Property
Cp,gas	1103.64	J/mol×K	909.01	Joback Calculated Property
Cp,gas	1120.59	J/mol×K	942.11	Joback Calculated Property
Cp,gas	1136.34	J/mol×K	975.22	Joback Calculated Property
Cp,gas	1150.91	J/mol×K	1008.32	Joback Calculated Property
Cp,gas	1164.33	J/mol×K	1041.43	Joback Calculated Property
Cp,gas	1176.64	J/mol×K	1074.54	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.