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

InChI

InChI=1S/C20H30ClNO3/c1-3-4-5-6-7-8-9-12-15-25-19(23)16-22(2)20(24)17-13-10-11-14-18(17)21/h10-11,13-14H,3-9,12,15-16H2,1-2H3

InChI Key

ZNCTXOPPEHUQQW-UHFFFAOYSA-N

Formula

C20H30ClNO3

SMILES

CCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1Cl

Molecular Weight¹

367.91

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9716		Relay (... Calculated Property
ΔfG°	-43.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-660.54	kJ/mol	Relay (... Calculated Property
ΔfusH°	52.81	kJ/mol	Joback Calculated Property
ΔvapH°	108.56	kJ/mol	Relay (... Calculated Property
IE	8.68	eV	Relay (... Calculated Property
log10WS	-5.60		Relay (... Calculated Property
logPoct/wat	5.096		Crippen Calculated Property
McVol	300.130	ml/mol	McGowan Calculated Property
Pc	1320.39	kPa	Joback Calculated Property
Inp	[2754.00; 2754.00]
Inp	2754.00		NIST
Inp	2754.00		NIST
Tboil	649.83	K	Relay (... Calculated Property
Tc	875.68	K	Relay (... Calculated Property
Tfus	310.81	K	Relay (... Calculated Property
Vc	1.114	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[918.44; 996.06]	J/mol×K	[868.69; 1072.72]
Cp,gas	918.44	J/mol×K	868.69	Joback Calculated Property
Cp,gas	933.93	J/mol×K	902.70	Joback Calculated Property
Cp,gas	948.33	J/mol×K	936.70	Joback Calculated Property
Cp,gas	961.70	J/mol×K	970.71	Joback Calculated Property
Cp,gas	974.08	J/mol×K	1004.71	Joback Calculated Property
Cp,gas	985.51	J/mol×K	1038.72	Joback Calculated Property
Cp,gas	996.06	J/mol×K	1072.72	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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