Chemical Properties of DL-Alanine, N-methyl-N-octyloxycarbonyl-, dodecyl ester

InChI

InChI=1S/C25H49NO4/c1-5-7-9-11-13-14-15-16-18-19-21-29-24(27)23(3)26(4)25(28)30-22-20-17-12-10-8-6-2/h23H,5-22H2,1-4H3

InChI Key

FBYWCEQVDODKSV-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCCCC

Molecular Weight¹

427.66

• 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).
• 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
ΔfG°	-199.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-986.68	kJ/mol	Joback Calculated Property
ΔfusH°	65.58	kJ/mol	Joback Calculated Property
ΔvapH°	91.21	kJ/mol	Joback Calculated Property
log10WS	-7.67		Crippen Calculated Property
logPoct/wat	7.268		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	807.08	kPa	Joback Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	935.98	K	Joback Calculated Property
Tc	1150.48	K	Joback Calculated Property
Tfus	533.30	K	Joback Calculated Property
Vc	1.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1326.39; 1429.05]	J/mol×K	[935.98; 1150.48]
Cp,gas	1326.39	J/mol×K	935.98	Joback Calculated Property
Cp,gas	1347.30	J/mol×K	971.73	Joback Calculated Property
Cp,gas	1366.62	J/mol×K	1007.48	Joback Calculated Property
Cp,gas	1384.40	J/mol×K	1043.23	Joback Calculated Property
Cp,gas	1400.70	J/mol×K	1078.98	Joback Calculated Property
Cp,gas	1415.56	J/mol×K	1114.73	Joback Calculated Property
Cp,gas	1429.05	J/mol×K	1150.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-octyloxycarbonyl-, dodecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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