Chemical Properties of D-Alanine, N-(2-chlorobenzoyl)-, nonyl ester

InChI

InChI=1S/C19H28ClNO3/c1-3-4-5-6-7-8-11-14-24-19(23)15(2)21-18(22)16-12-9-10-13-17(16)20/h9-10,12-13,15H,3-8,11,14H2,1-2H3,(H,21,22)

InChI Key

YKBDOMFIFYGLDM-UHFFFAOYSA-N

Formula

C19H28ClNO3

SMILES

CCCCCCCCCOC(=O)C(C)NC(=O)c1ccccc1Cl

Molecular Weight¹

353.88

• 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	0.9204		Relay (1.0) Calculated Property
ΔfG°	-75.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-677.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.78	kJ/mol	Joback Calculated Property
ΔvapH°	104.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	4.752		Crippen Calculated Property
McVol	286.040	ml/mol	McGowan Calculated Property
Pc	1442.44	kPa	Joback Calculated Property
Inp	[2642.00; 2642.00]
Inp	2642.00		NIST
Inp	2642.00		NIST
Tboil	628.83	K	Relay (1.0) Calculated Property
Tc	882.05	K	Relay (1.0) Calculated Property
Tfus	349.10	K	Relay (1.0) Calculated Property
Vc	1.043	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[875.81; 947.33]	J/mol×K	[883.10; 1092.61]
Cp,gas	875.81	J/mol×K	883.10	Joback Calculated Property
Cp,gas	890.35	J/mol×K	918.02	Joback Calculated Property
Cp,gas	903.79	J/mol×K	952.94	Joback Calculated Property
Cp,gas	916.16	J/mol×K	987.85	Joback Calculated Property
Cp,gas	927.52	J/mol×K	1022.77	Joback Calculated Property
Cp,gas	937.89	J/mol×K	1057.69	Joback Calculated Property
Cp,gas	947.33	J/mol×K	1092.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2-chlorobenzoyl)-, nonyl ester.

Sources

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

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