Chemical Properties of Sarcosine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester

InChI

InChI=1S/C23H34F3NO3/c1-3-4-5-6-7-8-9-10-11-14-17-30-21(28)18-27(2)22(29)19-15-12-13-16-20(19)23(24,25)26/h12-13,15-16H,3-11,14,17-18H2,1-2H3

InChI Key

JSQFEUZPHYZXFV-UHFFFAOYSA-N

Formula

C23H34F3NO3

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

429.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1308.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.79	kJ/mol	Joback Calculated Property
ΔvapH°	110.89	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	6.242		Crippen Calculated Property
McVol	335.470	ml/mol	McGowan Calculated Property
Pc	1001.44	kPa	Joback Calculated Property
Inp	[2756.00; 2756.00]
Inp	2756.00		NIST
Inp	2756.00		NIST
Tboil	661.14	K	Relay (1.0) Calculated Property
Tfus	317.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[494.60; 1142.19]	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			-2.17480e+01
Coefficient B			2.25274e+00
Coefficient C			-1.41186e-03
Coefficient D			3.23060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	494.60	J/mol×K	273.00	Calculated Property
Cp,gas	612.82	J/mol×K	353.78	Calculated Property
Cp,gas	717.09	J/mol×K	434.56	Calculated Property
Cp,gas	808.43	J/mol×K	515.33	Calculated Property
Cp,gas	887.87	J/mol×K	596.11	Calculated Property
Cp,gas	956.42	J/mol×K	676.89	Calculated Property
Cp,gas	1015.10	J/mol×K	757.67	Calculated Property
Cp,gas	1064.94	J/mol×K	838.44	Calculated Property
Cp,gas	1106.97	J/mol×K	919.22	Calculated Property
Cp,gas	1142.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, dodecyl 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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