Chemical Properties of DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester

InChI

InChI=1S/C21H40ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-17-26-20(24)19(2)23(3)21(25)27-18-15-16-22/h19H,4-18H2,1-3H3

InChI Key

BGDVBOWYHSWLDM-UHFFFAOYSA-N

Formula

C21H40ClNO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

406.00

• 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	1.0893		Relay (1.0) Calculated Property
ΔfG°	-245.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1091.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.41	kJ/mol	Joback Calculated Property
ΔvapH°	115.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	5.926		Crippen Calculated Property
McVol	343.850	ml/mol	McGowan Calculated Property
Pc	993.25	kPa	Joback Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST
Tboil	629.45	K	Relay (1.0) Calculated Property
Tc	834.17	K	Relay (1.0) Calculated Property
Tfus	298.84	K	Relay (1.0) Calculated Property
Vc	1.289	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1105.89; 1195.87]	J/mol×K	[881.89; 1079.70]
Cp,gas	1105.89	J/mol×K	881.89	Joback Calculated Property
Cp,gas	1123.85	J/mol×K	914.86	Joback Calculated Property
Cp,gas	1140.57	J/mol×K	947.83	Joback Calculated Property
Cp,gas	1156.10	J/mol×K	980.79	Joback Calculated Property
Cp,gas	1170.47	J/mol×K	1013.76	Joback Calculated Property
Cp,gas	1183.72	J/mol×K	1046.73	Joback Calculated Property
Cp,gas	1195.87	J/mol×K	1079.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl 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.