Chemical Properties of DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester

InChI

InChI=1S/C25H47NO4/c1-7-8-9-10-11-12-13-14-17-29-24(27)21(5)26(6)25(28)30-23-18-20(4)15-16-22(23)19(2)3/h19-23H,7-18H2,1-6H3

InChI Key

YACYAKSBZSQXKG-UHFFFAOYSA-N

Formula

C25H47NO4

SMILES

CCCCCCCCCCOC(=O)C(C)N(C)C(=O)OC1CC(C)CCC1C(C)C

Molecular Weight¹

425.64

• 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	0.9863		Relay (1.0) Calculated Property
ΔfG°	-193.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1098.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.03	kJ/mol	Joback Calculated Property
ΔvapH°	117.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	6.588		Crippen Calculated Property
McVol	377.110	ml/mol	McGowan Calculated Property
Pc	878.96	kPa	Joback Calculated Property
Inp	[2650.00; 2650.00]
Inp	2650.00		NIST
Inp	2650.00		NIST
Tboil	650.88	K	Relay (1.0) Calculated Property
Tc	862.82	K	Relay (1.0) Calculated Property
Tfus	289.03	K	Relay (1.0) Calculated Property
Vc	1.369	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1331.61; 1425.39]	J/mol×K	[945.75; 1157.87]
Cp,gas	1331.61	J/mol×K	945.75	Joback Calculated Property
Cp,gas	1351.67	J/mol×K	981.10	Joback Calculated Property
Cp,gas	1369.90	J/mol×K	1016.46	Joback Calculated Property
Cp,gas	1386.35	J/mol×K	1051.81	Joback Calculated Property
Cp,gas	1401.06	J/mol×K	1087.16	Joback Calculated Property
Cp,gas	1414.05	J/mol×K	1122.52	Joback Calculated Property
Cp,gas	1425.39	J/mol×K	1157.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester.

Sources

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

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