Chemical Properties of DL-Alanine, N-methyl-N-hexyloxycarbonyl-, butyl ester

InChI

InChI=1S/C15H29NO4/c1-5-7-9-10-12-20-15(18)16(4)13(3)14(17)19-11-8-6-2/h13H,5-12H2,1-4H3

InChI Key

GHXJKEKRNQWEQU-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

CCCCCCOC(=O)N(C)C(C)C(=O)OCCCC

Molecular Weight¹

287.40

• 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	0.8359		Relay (1.0) Calculated Property
ΔfG°	-284.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-938.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.68	kJ/mol	Joback Calculated Property
ΔvapH°	85.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.12		Relay (1.0) Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1525.88	kPa	Joback Calculated Property
Inp	[1855.00; 1855.00]
Inp	1855.00		NIST
Inp	1855.00		NIST
Tboil	569.11	K	Relay (1.0) Calculated Property
Tc	750.50	K	Relay (1.0) Calculated Property
Tfus	254.28	K	Relay (1.0) Calculated Property
Vc	0.936	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.57; 805.51]	J/mol×K	[707.18; 884.66]
Cp,gas	718.57	J/mol×K	707.18	Joback Calculated Property
Cp,gas	735.12	J/mol×K	736.76	Joback Calculated Property
Cp,gas	750.83	J/mol×K	766.34	Joback Calculated Property
Cp,gas	765.71	J/mol×K	795.92	Joback Calculated Property
Cp,gas	779.77	J/mol×K	825.50	Joback Calculated Property
Cp,gas	793.04	J/mol×K	855.08	Joback Calculated Property
Cp,gas	805.51	J/mol×K	884.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-hexyloxycarbonyl-, butyl ester.

Sources

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

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