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

InChI

InChI=1S/C14H18ClNO3/c1-3-4-9-19-13(17)10-16(2)14(18)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3

InChI Key

SRIOEDMSFBSNRU-UHFFFAOYSA-N

Formula

C14H18ClNO3

SMILES

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

Molecular Weight¹

283.75

• 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°	-94.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.82	kJ/mol	Joback Calculated Property
ΔfusH°	37.27	kJ/mol	Joback Calculated Property
ΔvapH°	72.03	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	2.755		Crippen Calculated Property
McVol	215.590	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[2169.00; 2169.00]
Inp	2169.00		NIST
Inp	2169.00		NIST
Tboil	731.41	K	Joback Calculated Property
Tc	940.17	K	Joback Calculated Property
Tfus	470.96	K	Joback Calculated Property
Vc	0.808	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.14; 648.47]	J/mol×K	[731.41; 940.17]
Cp,gas	579.14	J/mol×K	731.41	Joback Calculated Property
Cp,gas	592.94	J/mol×K	766.20	Joback Calculated Property
Cp,gas	605.80	J/mol×K	801.00	Joback Calculated Property
Cp,gas	617.75	J/mol×K	835.79	Joback Calculated Property
Cp,gas	628.82	J/mol×K	870.58	Joback Calculated Property
Cp,gas	639.05	J/mol×K	905.37	Joback Calculated Property
Cp,gas	648.47	J/mol×K	940.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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