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

InChI

InChI=1S/C16H31NO4/c1-5-7-9-11-13-21-16(19)17(4)14(3)15(18)20-12-10-8-6-2/h14H,5-13H2,1-4H3

InChI Key

OORIDIVDADVNAD-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

CCCCCCOC(=O)N(C)C(C)C(=O)OCCCCC

Molecular Weight¹

301.42

• 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	0.8739		Relay (1.0) Calculated Property
ΔfG°	-275.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.27	kJ/mol	Joback Calculated Property
ΔvapH°	88.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	3.757		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1417.57	kPa	Joback Calculated Property
Inp	[1942.00; 1942.00]
Inp	1942.00		NIST
Inp	1942.00		NIST
Tboil	576.72	K	Relay (1.0) Calculated Property
Tc	761.74	K	Relay (1.0) Calculated Property
Tfus	263.70	K	Relay (1.0) Calculated Property
Vc	0.991	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[775.53; 864.21]	J/mol×K	[730.06; 908.02]
Cp,gas	775.53	J/mol×K	730.06	Joback Calculated Property
Cp,gas	792.47	J/mol×K	759.72	Joback Calculated Property
Cp,gas	808.53	J/mol×K	789.38	Joback Calculated Property
Cp,gas	823.72	J/mol×K	819.04	Joback Calculated Property
Cp,gas	838.05	J/mol×K	848.70	Joback Calculated Property
Cp,gas	851.55	J/mol×K	878.36	Joback Calculated Property
Cp,gas	864.21	J/mol×K	908.02	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.