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

InChI

InChI=1S/C27H51NO4/c1-7-8-9-10-11-12-13-14-15-16-19-31-26(29)23(5)28(6)27(30)32-25-20-22(4)17-18-24(25)21(2)3/h21-25H,7-20H2,1-6H3

InChI Key

NAGBMYYNVLCGBX-UHFFFAOYSA-N

Formula

C27H51NO4

SMILES

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

Molecular Weight¹

453.70

• 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	1.0593		Relay (1.0) Calculated Property
ΔfG°	-176.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1138.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.21	kJ/mol	Joback Calculated Property
ΔvapH°	125.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-6.60		Relay (1.0) Calculated Property
logPoct/wat	7.368		Crippen Calculated Property
McVol	405.290	ml/mol	McGowan Calculated Property
Pc	786.83	kPa	Joback Calculated Property
Inp	[2839.00; 2839.00]
Inp	2839.00		NIST
Inp	2839.00		NIST
Tboil	664.48	K	Relay (1.0) Calculated Property
Tc	878.50	K	Relay (1.0) Calculated Property
Tfus	294.56	K	Relay (1.0) Calculated Property
Vc	1.478	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1460.03; 1551.59]	J/mol×K	[991.51; 1215.80]
Cp,gas	1460.03	J/mol×K	991.51	Joback Calculated Property
Cp,gas	1480.31	J/mol×K	1028.89	Joback Calculated Property
Cp,gas	1498.51	J/mol×K	1066.27	Joback Calculated Property
Cp,gas	1514.68	J/mol×K	1103.66	Joback Calculated Property
Cp,gas	1528.88	J/mol×K	1141.04	Joback Calculated Property
Cp,gas	1541.16	J/mol×K	1178.42	Joback Calculated Property
Cp,gas	1551.59	J/mol×K	1215.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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