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

InChI

InChI=1S/C26H49NO4/c1-7-8-9-10-11-12-13-14-15-18-30-25(28)22(5)27(6)26(29)31-24-19-21(4)16-17-23(24)20(2)3/h20-24H,7-19H2,1-6H3

InChI Key

KHNCDUIRDQIRHQ-UHFFFAOYSA-N

Formula

C26H49NO4

SMILES

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

Molecular Weight¹

439.67

• 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	1.0228		Relay (1.0) Calculated Property
ΔfG°	-184.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1118.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.62	kJ/mol	Joback Calculated Property
ΔvapH°	121.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	6.978		Crippen Calculated Property
McVol	391.200	ml/mol	McGowan Calculated Property
Pc	830.98	kPa	Joback Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		NIST
Tboil	657.80	K	Relay (1.0) Calculated Property
Tc	870.75	K	Relay (1.0) Calculated Property
Tfus	291.66	K	Relay (1.0) Calculated Property
Vc	1.424	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1395.69; 1488.41]	J/mol×K	[968.63; 1186.29]
Cp,gas	1395.69	J/mol×K	968.63	Joback Calculated Property
Cp,gas	1415.84	J/mol×K	1004.91	Joback Calculated Property
Cp,gas	1434.06	J/mol×K	1041.18	Joback Calculated Property
Cp,gas	1450.37	J/mol×K	1077.46	Joback Calculated Property
Cp,gas	1464.84	J/mol×K	1113.74	Joback Calculated Property
Cp,gas	1477.51	J/mol×K	1150.02	Joback Calculated Property
Cp,gas	1488.41	J/mol×K	1186.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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