Chemical Properties of D-Alanine, N-(3-anisoyl)-, nonyl ester

InChI

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

InChI Key

QIYHJCIVPXZPKG-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

CCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(OC)c1

Molecular Weight¹

349.46

• 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).
• 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
ΔfG°	-160.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.48	kJ/mol	Joback Calculated Property
ΔfusH°	48.36	kJ/mol	Joback Calculated Property
ΔvapH°	87.41	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	4.107		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1362.64	kPa	Joback Calculated Property
Inp	[2737.00; 2737.00]
Inp	2737.00		NIST
Inp	2737.00		NIST
Tboil	890.97	K	Joback Calculated Property
Tc	1097.78	K	Joback Calculated Property
Tfus	536.08	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[937.60; 1011.95]	J/mol×K	[890.97; 1097.78]
Cp,gas	937.60	J/mol×K	890.97	Joback Calculated Property
Cp,gas	952.96	J/mol×K	925.44	Joback Calculated Property
Cp,gas	967.11	J/mol×K	959.91	Joback Calculated Property
Cp,gas	980.05	J/mol×K	994.38	Joback Calculated Property
Cp,gas	991.82	J/mol×K	1028.85	Joback Calculated Property
Cp,gas	1002.44	J/mol×K	1063.31	Joback Calculated Property
Cp,gas	1011.95	J/mol×K	1097.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(3-anisoyl)-, nonyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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