Chemical Properties of D-Alanine, N-ethoxycarbonyl-, isohexyl ester

InChI

InChI=1S/C12H23NO4/c1-5-16-12(15)13-10(4)11(14)17-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,15)

InChI Key

QVNNZMLPTQZXQR-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCOC(O)=NC(C)C(=O)OCCCC(C)C

Molecular Weight¹

245.32

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-758.39	kJ/mol	Joback Calculated Property
ΔvapH°	73.17	kJ/mol	Joback Calculated Property
log10WS	-2.14		Crippen Calculated Property
logPoct/wat	2.305		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1837.26	kPa	Joback Calculated Property
Inp	[1603.00; 1603.00]
Inp	1603.00		NIST
Inp	1603.00		NIST
Tboil	740.53	K	Joback Calculated Property
Tc	927.24	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, isohexyl ester.

Sources

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

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