Chemical Properties of Sarcosine, N-(2,6-difluorobenzoyl)-, decyl ester

InChI

InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-14-26-18(24)15-23(2)20(25)19-16(21)12-11-13-17(19)22/h11-13H,3-10,14-15H2,1-2H3

InChI Key

UXGQDCDYVBEVGD-UHFFFAOYSA-N

Formula

C20H29F2NO3

SMILES

CCCCCCCCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F

Molecular Weight¹

369.45

• 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°	55.97	kJ/mol	Joback Calculated Property
ΔvapH°	104.80	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	4.721		Crippen Calculated Property
McVol	291.430	ml/mol	McGowan Calculated Property
Pc	1221.70	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	631.06	K	Relay (1.0) Calculated Property
Tfus	317.46	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	[426.77; 975.84]	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			1.36600e+01
Coefficient B			1.77064e+00
Coefficient C			-9.93420e-04
Coefficient D			1.84960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.77	J/mol×K	273.00	Calculated Property
Cp,gas	523.93	J/mol×K	353.78	Calculated Property
Cp,gas	610.68	J/mol×K	434.56	Calculated Property
Cp,gas	687.62	J/mol×K	515.33	Calculated Property
Cp,gas	755.33	J/mol×K	596.11	Calculated Property
Cp,gas	814.39	J/mol×K	676.89	Calculated Property
Cp,gas	865.38	J/mol×K	757.67	Calculated Property
Cp,gas	908.90	J/mol×K	838.44	Calculated Property
Cp,gas	945.52	J/mol×K	919.22	Calculated Property
Cp,gas	975.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,6-difluorobenzoyl)-, 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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