Chemical Properties of D-2-Phenylglycine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C16H23NO4/c1-5-20-16(19)17-14(13-9-7-6-8-10-13)15(18)21-12(4)11(2)3/h6-12,14H,5H2,1-4H3,(H,17,19)/t12-,14?/m1/s1

InChI Key

WCLRJFYIEARGAI-PUODRLBUSA-N

Formula

C16H23NO4

SMILES

CCOC(=O)NC(C(=O)OC(C)C(C)C)c1ccccc1

Molecular Weight¹

293.36

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[696.48; 772.12]	J/mol×K	[757.65; 964.57]
Cp,gas	696.48	J/mol×K	757.65	Joback Calculated Property
Cp,gas	712.04	J/mol×K	792.14	Joback Calculated Property
Cp,gas	726.39	J/mol×K	826.62	Joback Calculated Property
Cp,gas	739.54	J/mol×K	861.11	Joback Calculated Property
Cp,gas	751.53	J/mol×K	895.60	Joback Calculated Property
Cp,gas	762.38	J/mol×K	930.09	Joback Calculated Property
Cp,gas	772.12	J/mol×K	964.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-2-Phenylglycine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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