Chemical Properties of DL-Alanine, N-methyl-N-decyloxycarbonyl-, pentadecyl ester

InChI

InChI=1S/C30H59NO4/c1-5-7-9-11-13-15-16-17-18-19-21-22-24-26-34-29(32)28(3)31(4)30(33)35-27-25-23-20-14-12-10-8-6-2/h28H,5-27H2,1-4H3

InChI Key

CHHZCWVJTSURLT-UHFFFAOYSA-N

Formula

C30H59NO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

497.79

• 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	1.3684		Relay (1.0) Calculated Property
ΔfG°	-157.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1237.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.53	kJ/mol	Joback Calculated Property
ΔvapH°	141.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-7.98		Relay (1.0) Calculated Property
logPoct/wat	9.218		Crippen Calculated Property
McVol	458.420	ml/mol	McGowan Calculated Property
Pc	625.00	kPa	Joback Calculated Property
Inp	[3254.00; 3254.00]
Inp	3254.00		NIST
Inp	3254.00		NIST
Tboil	673.90	K	Relay (1.0) Calculated Property
Tc	865.37	K	Relay (1.0) Calculated Property
Tfus	317.21	K	Relay (1.0) Calculated Property
Vc	1.764	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1651.02; 1762.11]	J/mol×K	[1050.38; 1323.14]
Cp,gas	1651.02	J/mol×K	1050.38	Joback Calculated Property
Cp,gas	1675.53	J/mol×K	1095.84	Joback Calculated Property
Cp,gas	1697.44	J/mol×K	1141.30	Joback Calculated Property
Cp,gas	1716.92	J/mol×K	1186.76	Joback Calculated Property
Cp,gas	1734.09	J/mol×K	1232.22	Joback Calculated Property
Cp,gas	1749.11	J/mol×K	1277.68	Joback Calculated Property
Cp,gas	1762.11	J/mol×K	1323.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-decyloxycarbonyl-, pentadecyl ester.

Sources

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

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