Chemical Properties of Sarcosine, N-(4-methylbenzoyl)-, decyl ester

InChI

InChI=1S/C21H33NO3/c1-4-5-6-7-8-9-10-11-16-25-20(23)17-22(3)21(24)19-14-12-18(2)13-15-19/h12-15H,4-11,16-17H2,1-3H3

InChI Key

AHQIBKRBPYXBHY-UHFFFAOYSA-N

Formula

C21H33NO3

SMILES

CCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(C)cc1

Molecular Weight¹

347.50

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.79	kJ/mol	Joback Calculated Property
ΔvapH°	109.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-5.30		Relay (1.0) Calculated Property
logPoct/wat	4.751		Crippen Calculated Property
McVol	301.980	ml/mol	McGowan Calculated Property
Pc	1229.42	kPa	Joback Calculated Property
Inp	[2720.00; 2720.00]
Inp	2720.00		NIST
Inp	2720.00		NIST
Tboil	659.48	K	Relay (1.0) Calculated Property
Tfus	304.73	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 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	[429.04; 1016.33]	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			-1.37300e+01
Coefficient B			1.90156e+00
Coefficient C			-1.08206e-03
Coefficient D			2.10560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.04	J/mol×K	273.00	Calculated Property
Cp,gas	532.89	J/mol×K	353.78	Calculated Property
Cp,gas	625.55	J/mol×K	434.56	Calculated Property
Cp,gas	707.66	J/mol×K	515.33	Calculated Property
Cp,gas	779.91	J/mol×K	596.11	Calculated Property
Cp,gas	842.94	J/mol×K	676.89	Calculated Property
Cp,gas	897.43	J/mol×K	757.67	Calculated Property
Cp,gas	944.05	J/mol×K	838.44	Calculated Property
Cp,gas	983.46	J/mol×K	919.22	Calculated Property
Cp,gas	1016.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, decyl 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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