Chemical Properties of Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester

InChI

InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)

InChI Key

RXQDBVWDABAAHL-UHFFFAOYSA-N

Formula

C14H19NO4

SMILES

O=C(O)CCCCCNC(=O)OCc1ccccc1

Molecular Weight¹

265.31

Other Names

• 6-[[(phenylmethoxy)carbonyl]amino]hexanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[622.14; 679.64]	J/mol×K	[818.91; 1019.78]
Cp,gas	622.14	J/mol×K	818.91	Joback Calculated Property
Cp,gas	633.71	J/mol×K	852.39	Joback Calculated Property
Cp,gas	644.45	J/mol×K	885.87	Joback Calculated Property
Cp,gas	654.38	J/mol×K	919.35	Joback Calculated Property
Cp,gas	663.53	J/mol×K	952.83	Joback Calculated Property
Cp,gas	671.94	J/mol×K	986.30	Joback Calculated Property
Cp,gas	679.64	J/mol×K	1019.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 6-(carboxyamino)-, n-benzyl 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.