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

InChI

InChI=1S/C19H28ClNO3/c1-3-4-5-6-7-8-9-14-24-18(22)15-21(2)19(23)16-10-12-17(20)13-11-16/h10-13H,3-9,14-15H2,1-2H3

InChI Key

VNSOENDCYXSYBU-UHFFFAOYSA-N

Formula

C19H28ClNO3

SMILES

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

Molecular Weight¹

353.88

• 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°	-52.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-516.02	kJ/mol	Joback Calculated Property
ΔfusH°	50.22	kJ/mol	Joback Calculated Property
ΔvapH°	83.16	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.706		Crippen Calculated Property
McVol	286.040	ml/mol	McGowan Calculated Property
Pc	1417.57	kPa	Joback Calculated Property
Inp	[2679.00; 2679.00]
Inp	2679.00		NIST
Inp	2679.00		NIST
Tboil	845.81	K	Joback Calculated Property
Tc	1049.03	K	Joback Calculated Property
Tfus	527.31	K	Joback Calculated Property
Vc	1.089	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.66; 936.18]	J/mol×K	[845.81; 1049.03]
Cp,gas	859.66	J/mol×K	845.81	Joback Calculated Property
Cp,gas	874.90	J/mol×K	879.68	Joback Calculated Property
Cp,gas	889.09	J/mol×K	913.55	Joback Calculated Property
Cp,gas	902.27	J/mol×K	947.42	Joback Calculated Property
Cp,gas	914.48	J/mol×K	981.29	Joback Calculated Property
Cp,gas	925.77	J/mol×K	1015.16	Joback Calculated Property
Cp,gas	936.18	J/mol×K	1049.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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