Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-31-21(29)18-28(2)24(30)19-15-16-20(25)23(27)22(19)26/h15-16H,3-14,17-18H2,1-2H3

InChI Key

HGXVTMYFGPWVQR-UHFFFAOYSA-N

Formula

C24H36F3NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

443.54

• 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°	69.02	kJ/mol	Joback Calculated Property
ΔvapH°	121.22	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.29		Relay (1.0) Calculated Property
logPoct/wat	6.420		Crippen Calculated Property
McVol	349.560	ml/mol	McGowan Calculated Property
Pc	915.50	kPa	Joback Calculated Property
Inp	[2958.00; 2958.00]
Inp	2958.00		NIST
Inp	2958.00		NIST
Tboil	663.70	K	Relay (1.0) Calculated Property
Tfus	318.81	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	[522.37; 1186.23]	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			3.04140e+01
Coefficient B			2.10294e+00
Coefficient C			-1.16038e-03
Coefficient D			2.13260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	522.37	J/mol×K	273.00	Calculated Property
Cp,gas	638.60	J/mol×K	353.78	Calculated Property
Cp,gas	742.63	J/mol×K	434.56	Calculated Property
Cp,gas	835.15	J/mol×K	515.33	Calculated Property
Cp,gas	916.83	J/mol×K	596.11	Calculated Property
Cp,gas	988.35	J/mol×K	676.89	Calculated Property
Cp,gas	1050.37	J/mol×K	757.67	Calculated Property
Cp,gas	1103.58	J/mol×K	838.44	Calculated Property
Cp,gas	1148.64	J/mol×K	919.22	Calculated Property
Cp,gas	1186.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl 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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