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

InChI

InChI=1S/C25H38F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-22(30)19-29(2)25(31)20-16-17-21(26)24(28)23(20)27/h16-17H,3-15,18-19H2,1-2H3

InChI Key

ZLURZNPOFKXDHP-UHFFFAOYSA-N

Formula

C25H38F3NO3

SMILES

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

Molecular Weight¹

457.57

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-593.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1235.39	kJ/mol	Joback Calculated Property
ΔfusH°	70.03	kJ/mol	Joback Calculated Property
ΔvapH°	91.00	kJ/mol	Joback Calculated Property
log10WS	-8.17		Crippen Calculated Property
logPoct/wat	6.810		Crippen Calculated Property
McVol	363.650	ml/mol	McGowan Calculated Property
Pc	885.77	kPa	Joback Calculated Property
Inp	[3127.00; 3127.00]
Inp	3127.00		NIST
Inp	3127.00		NIST
Tboil	953.43	K	Joback Calculated Property
Tc	1170.27	K	Joback Calculated Property
Tfus	591.82	K	Joback Calculated Property
Vc	1.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1214.77; 1301.00]	J/mol×K	[953.43; 1170.27]
Cp,gas	1214.77	J/mol×K	953.43	Joback Calculated Property
Cp,gas	1232.41	J/mol×K	989.57	Joback Calculated Property
Cp,gas	1248.65	J/mol×K	1025.71	Joback Calculated Property
Cp,gas	1263.57	J/mol×K	1061.85	Joback Calculated Property
Cp,gas	1277.23	J/mol×K	1097.99	Joback Calculated Property
Cp,gas	1289.68	J/mol×K	1134.13	Joback Calculated Property
Cp,gas	1301.00	J/mol×K	1170.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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