Chemical Properties of Sarcosine, N-(2-chlorobenzoyl)-, pentyl ester

InChI

InChI=1S/C15H20ClNO3/c1-3-4-7-10-20-14(18)11-17(2)15(19)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3

InChI Key

KELZJYIYVCWDRO-UHFFFAOYSA-N

Formula

C15H20ClNO3

SMILES

CCCCCOC(=O)CN(C)C(=O)c1ccccc1Cl

Molecular Weight¹

297.78

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-552.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.86	kJ/mol	Joback Calculated Property
ΔvapH°	90.22	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.80		Relay (1.0) Calculated Property
logPoct/wat	3.145		Crippen Calculated Property
McVol	229.680	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	613.63	K	Relay (1.0) Calculated Property
Tfus	302.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[633.22; 704.40]	J/mol×K	[754.29; 960.82]
Cp,gas	633.22	J/mol×K	754.29	Joback Calculated Property
Cp,gas	647.38	J/mol×K	788.71	Joback Calculated Property
Cp,gas	660.57	J/mol×K	823.13	Joback Calculated Property
Cp,gas	672.83	J/mol×K	857.55	Joback Calculated Property
Cp,gas	684.20	J/mol×K	891.97	Joback Calculated Property
Cp,gas	694.71	J/mol×K	926.40	Joback Calculated Property
Cp,gas	704.40	J/mol×K	960.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-chlorobenzoyl)-, pentyl 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.