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

InChI

InChI=1S/C16H22ClNO3/c1-3-4-5-6-11-21-15(19)12-18(2)16(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3

InChI Key

WGPRKIYPKZLFAA-UHFFFAOYSA-N

Formula

C16H22ClNO3

SMILES

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

Molecular Weight¹

311.80

• 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°	-77.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.10	kJ/mol	Joback Calculated Property
ΔfusH°	42.45	kJ/mol	Joback Calculated Property
ΔvapH°	76.48	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.536		Crippen Calculated Property
McVol	243.770	ml/mol	McGowan Calculated Property
Pc	1783.35	kPa	Joback Calculated Property
Inp	[2368.00; 2368.00]
Inp	2368.00		NIST
Inp	2368.00		NIST
Tboil	777.17	K	Joback Calculated Property
Tc	981.98	K	Joback Calculated Property
Tfus	493.50	K	Joback Calculated Property
Vc	0.920	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.39; 761.15]	J/mol×K	[777.17; 981.98]
Cp,gas	688.39	J/mol×K	777.17	Joback Calculated Property
Cp,gas	702.86	J/mol×K	811.31	Joback Calculated Property
Cp,gas	716.34	J/mol×K	845.44	Joback Calculated Property
Cp,gas	728.87	J/mol×K	879.58	Joback Calculated Property
Cp,gas	740.49	J/mol×K	913.71	Joback Calculated Property
Cp,gas	751.24	J/mol×K	947.85	Joback Calculated Property
Cp,gas	761.15	J/mol×K	981.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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