Chemical Properties of Sarcosine, N-(3-phenylpropionyl)-, isobutyl ester

InChI

InChI=1S/C16H23NO3/c1-13(2)12-20-16(19)11-17(3)15(18)10-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3

InChI Key

QDZPYFPJEZVCBA-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CC(C)COC(=O)CN(C)C(=O)CCc1ccccc1

Molecular Weight¹

277.36

• 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°	-58.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.17	kJ/mol	Joback Calculated Property
ΔfusH°	35.12	kJ/mol	Joback Calculated Property
ΔvapH°	71.04	kJ/mol	Joback Calculated Property
log10WS	-2.59		Crippen Calculated Property
logPoct/wat	2.277		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1877.28	kPa	Joback Calculated Property
Inp	[2163.00; 2163.00]
Inp	2163.00		NIST
Inp	2163.00		NIST
Tboil	734.32	K	Joback Calculated Property
Tc	937.54	K	Joback Calculated Property
Tfus	436.06	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.18; 743.05]	J/mol×K	[734.32; 937.54]
Cp,gas	662.18	J/mol×K	734.32	Joback Calculated Property
Cp,gas	678.15	J/mol×K	768.19	Joback Calculated Property
Cp,gas	693.07	J/mol×K	802.06	Joback Calculated Property
Cp,gas	706.98	J/mol×K	835.93	Joback Calculated Property
Cp,gas	719.92	J/mol×K	869.80	Joback Calculated Property
Cp,gas	731.93	J/mol×K	903.67	Joback Calculated Property
Cp,gas	743.05	J/mol×K	937.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, isobutyl ester.

Sources

• 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.