Chemical Properties of Sarcosine, N-(4-fluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C24H38FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-23(27)20-26(2)24(28)21-15-17-22(25)18-16-21/h15-18H,3-14,19-20H2,1-2H3

InChI Key

XTTROBPFLWYQJT-UHFFFAOYSA-N

Formula

C24H38FNO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)cc1

Molecular Weight¹

407.57

• 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°	62.05	kJ/mol	Joback Calculated Property
ΔvapH°	121.56	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	346.020	ml/mol	McGowan Calculated Property
Pc	1011.66	kPa	Joback Calculated Property
Inp	[3075.00; 3075.00]
Inp	3075.00		NIST
Inp	3075.00		NIST
Tboil	674.50	K	Relay (1.0) Calculated Property
Tfus	318.07	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1139.86; 1227.21]	J/mol×K	[922.05; 1128.93]
Cp,gas	1139.86	J/mol×K	922.05	Joback Calculated Property
Cp,gas	1157.33	J/mol×K	956.53	Joback Calculated Property
Cp,gas	1173.55	J/mol×K	991.01	Joback Calculated Property
Cp,gas	1188.59	J/mol×K	1025.49	Joback Calculated Property
Cp,gas	1202.51	J/mol×K	1059.97	Joback Calculated Property
Cp,gas	1215.36	J/mol×K	1094.45	Joback Calculated Property
Cp,gas	1227.21	J/mol×K	1128.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-fluorobenzoyl)-, 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.