Chemical Properties of Sarcosine, N-(4-chlorobenzoyl)-, pentyl ester

InChI

InChI=1S/C15H20ClNO3/c1-3-4-5-10-20-14(18)11-17(2)15(19)12-6-8-13(16)9-7-12/h6-9H,3-5,10-11H2,1-2H3

InChI Key

SUFPIRCEMKSABB-UHFFFAOYSA-N

Formula

C15H20ClNO3

SMILES

CCCCCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1

Molecular Weight¹

297.78

• 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°	-85.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.46	kJ/mol	Joback Calculated Property
ΔfusH°	39.86	kJ/mol	Joback Calculated Property
ΔvapH°	74.25	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen 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	[2263.00; 2263.00]
Inp	2263.00		NIST
Inp	2263.00		NIST
Tboil	754.29	K	Joback Calculated Property
Tc	960.82	K	Joback Calculated Property
Tfus	482.23	K	Joback Calculated Property
Vc	0.865	m3/kmol	Joback Calculated Property

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-(4-chlorobenzoyl)-, pentyl ester.

Sources

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

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