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_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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.80	kJ/mol	Joback Calculated Property
ΔvapH°	108.61	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	4.706		Crippen Calculated Property
McVol	286.040	ml/mol	McGowan Calculated Property
Pc	1374.80	kPa	Joback Calculated Property
Inp	[2679.00; 2679.00]
Inp	2679.00		NIST
Inp	2679.00		NIST
Tboil	651.89	K	Relay (1.0) Calculated Property
Tfus	301.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.01; 921.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.79000e-01
Coefficient B			1.71834e+00
Coefficient C			-9.93660e-04
Coefficient D			1.95760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.01	J/mol×K	273.00	Calculated Property
Cp,gas	493.19	J/mol×K	353.78	Calculated Property
Cp,gas	576.12	J/mol×K	434.56	Calculated Property
Cp,gas	649.40	J/mol×K	515.33	Calculated Property
Cp,gas	713.67	J/mol×K	596.11	Calculated Property
Cp,gas	769.54	J/mol×K	676.89	Calculated Property
Cp,gas	817.63	J/mol×K	757.67	Calculated Property
Cp,gas	858.56	J/mol×K	838.44	Calculated Property
Cp,gas	892.95	J/mol×K	919.22	Calculated Property
Cp,gas	921.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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