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

InChI

InChI=1S/C29H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-33-28(31)25(5)30(6)29(32)34-27-22-24(4)19-20-26(27)23(2)3/h23-27H,7-22H2,1-6H3

InChI Key

HAEWHPAXWSXCMR-UHFFFAOYSA-N

Formula

C29H55NO4

SMILES

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

Molecular Weight¹

481.75

• 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	1.1313		Relay (1.0) Calculated Property
ΔfG°	-159.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1178.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.39	kJ/mol	Joback Calculated Property
ΔvapH°	133.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-7.21		Relay (1.0) Calculated Property
logPoct/wat	8.148		Crippen Calculated Property
McVol	433.470	ml/mol	McGowan Calculated Property
Pc	708.46	kPa	Joback Calculated Property
Inp	[3034.00; 3034.00]
Inp	3034.00		NIST
Inp	3034.00		NIST
Tboil	677.73	K	Relay (1.0) Calculated Property
Tc	893.48	K	Relay (1.0) Calculated Property
Tfus	299.86	K	Relay (1.0) Calculated Property
Vc	1.587	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1589.33; 1678.00]	J/mol×K	[1037.27; 1278.41]
Cp,gas	1589.33	J/mol×K	1037.27	Joback Calculated Property
Cp,gas	1609.92	J/mol×K	1077.46	Joback Calculated Property
Cp,gas	1628.08	J/mol×K	1117.65	Joback Calculated Property
Cp,gas	1643.89	J/mol×K	1157.84	Joback Calculated Property
Cp,gas	1657.43	J/mol×K	1198.03	Joback Calculated Property
Cp,gas	1668.78	J/mol×K	1238.22	Joback Calculated Property
Cp,gas	1678.00	J/mol×K	1278.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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