Chemical Properties of D-Alanine, N-(4-anisoyl)-, nonyl ester

InChI

InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-15-25-20(23)16(2)21-19(22)17-11-13-18(24-3)14-12-17/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)

InChI Key

BEHYMOZOUKPLPJ-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

CCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1

Molecular Weight¹

349.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.94	kJ/mol	Joback Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	4.107		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
Inp	[2709.00; 2709.00]
Inp	2709.00		NIST
Inp	2709.00		NIST
Tboil	648.51	K	Relay (1.0) Calculated Property
Tfus	343.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[931.20; 1005.84]	J/mol×K	[873.10; 1077.11]
Cp,gas	931.20	J/mol×K	873.10	Joback Calculated Property
Cp,gas	946.66	J/mol×K	907.10	Joback Calculated Property
Cp,gas	960.88	J/mol×K	941.10	Joback Calculated Property
Cp,gas	973.88	J/mol×K	975.10	Joback Calculated Property
Cp,gas	985.68	J/mol×K	1009.11	Joback Calculated Property
Cp,gas	996.33	J/mol×K	1043.11	Joback Calculated Property
Cp,gas	1005.84	J/mol×K	1077.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(4-anisoyl)-, nonyl 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.
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