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

InChI

InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-10-11-14-28-18(26)15-25(2)21(27)16-12-13-17(22)20(24)19(16)23/h12-13H,3-11,14-15H2,1-2H3

InChI Key

HZYDPMLZRNECLO-UHFFFAOYSA-N

Formula

C21H30F3NO3

SMILES

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

Molecular Weight¹

401.46

• 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°	-627.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1152.83	kJ/mol	Joback Calculated Property
ΔfusH°	59.67	kJ/mol	Joback Calculated Property
ΔvapH°	82.10	kJ/mol	Joback Calculated Property
log10WS	-6.50		Crippen Calculated Property
logPoct/wat	5.250		Crippen Calculated Property
McVol	307.290	ml/mol	McGowan Calculated Property
Pc	1129.10	kPa	Joback Calculated Property
Inp	[2596.00; 2596.00]
Inp	2596.00		NIST
Inp	2596.00		NIST
Tboil	861.91	K	Joback Calculated Property
Tc	1056.37	K	Joback Calculated Property
Tfus	546.74	K	Joback Calculated Property
Vc	1.206	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.78; 1050.32]	J/mol×K	[861.91; 1056.37]
Cp,gas	970.78	J/mol×K	861.91	Joback Calculated Property
Cp,gas	986.56	J/mol×K	894.32	Joback Calculated Property
Cp,gas	1001.29	J/mol×K	926.73	Joback Calculated Property
Cp,gas	1015.00	J/mol×K	959.14	Joback Calculated Property
Cp,gas	1027.71	J/mol×K	991.55	Joback Calculated Property
Cp,gas	1039.48	J/mol×K	1023.96	Joback Calculated Property
Cp,gas	1050.32	J/mol×K	1056.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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