Chemical Properties of D-Alanine, N-(5-chlorovaleryl)-, heptyl ester

InChI

InChI=1S/C15H28ClNO3/c1-3-4-5-6-9-12-20-15(19)13(2)17-14(18)10-7-8-11-16/h13H,3-12H2,1-2H3,(H,17,18)

InChI Key

KOFVZRFXZTVRON-UHFFFAOYSA-N

Formula

C15H28ClNO3

SMILES

CCCCCCCOC(=O)C(C)NC(=O)CCCCCl

Molecular Weight¹

305.84

• 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°	-212.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-677.86	kJ/mol	Joback Calculated Property
ΔfusH°	44.77	kJ/mol	Joback Calculated Property
ΔvapH°	75.32	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	3.414		Crippen Calculated Property
McVol	253.440	ml/mol	McGowan Calculated Property
Pc	1519.94	kPa	Joback Calculated Property
Inp	[2245.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Tboil	759.92	K	Joback Calculated Property
Tc	945.97	K	Joback Calculated Property
Tfus	448.48	K	Joback Calculated Property
Vc	0.984	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.55; 817.74]	J/mol×K	[759.92; 945.97]
Cp,gas	738.55	J/mol×K	759.92	Joback Calculated Property
Cp,gas	753.83	J/mol×K	790.93	Joback Calculated Property
Cp,gas	768.25	J/mol×K	821.94	Joback Calculated Property
Cp,gas	781.83	J/mol×K	852.94	Joback Calculated Property
Cp,gas	794.59	J/mol×K	883.95	Joback Calculated Property
Cp,gas	806.55	J/mol×K	914.96	Joback Calculated Property
Cp,gas	817.74	J/mol×K	945.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(5-chlorovaleryl)-, heptyl ester.

Sources

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

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