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

InChI

InChI=1S/C13H16ClNO3/c1-3-8-18-12(16)9-15(2)13(17)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3

InChI Key

IHSZLSTUMANNCN-UHFFFAOYSA-N

Formula

C13H16ClNO3

SMILES

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

Molecular Weight¹

269.72

• 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°	-102.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-392.18	kJ/mol	Joback Calculated Property
ΔfusH°	34.68	kJ/mol	Joback Calculated Property
ΔvapH°	69.80	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.365		Crippen Calculated Property
McVol	201.500	ml/mol	McGowan Calculated Property
Pc	2311.39	kPa	Joback Calculated Property
Inp	[2071.00; 2071.00]
Inp	2071.00		NIST
Inp	2071.00		NIST
Tboil	708.53	K	Joback Calculated Property
Tc	919.99	K	Joback Calculated Property
Tfus	459.69	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.21; 593.39]	J/mol×K	[708.53; 919.99]
Cp,gas	526.21	J/mol×K	708.53	Joback Calculated Property
Cp,gas	539.60	J/mol×K	743.77	Joback Calculated Property
Cp,gas	552.07	J/mol×K	779.02	Joback Calculated Property
Cp,gas	563.66	J/mol×K	814.26	Joback Calculated Property
Cp,gas	574.38	J/mol×K	849.50	Joback Calculated Property
Cp,gas	584.29	J/mol×K	884.75	Joback Calculated Property
Cp,gas	593.39	J/mol×K	919.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-chlorobenzoyl)-, propyl ester.

Sources

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

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