Chemical Properties of Sarcosine, n-pentafluorobenzoyl-, heptadecyl ester

InChI

InChI=1S/C27H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-20(34)19-33(2)27(35)21-22(28)24(30)26(32)25(31)23(21)29/h3-19H2,1-2H3

InChI Key

RIOWCAZMJMHIBB-UHFFFAOYSA-N

Formula

C27H40F5NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

521.60

• 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°	-985.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1691.83	kJ/mol	Joback Calculated Property
ΔfusH°	80.59	kJ/mol	Joback Calculated Property
ΔvapH°	95.14	kJ/mol	Joback Calculated Property
log10WS	-9.67		Crippen Calculated Property
logPoct/wat	7.869		Crippen Calculated Property
McVol	395.370	ml/mol	McGowan Calculated Property
Pc	741.64	kPa	Joback Calculated Property
Inp	[3222.00; 3222.00]
Inp	3222.00		NIST
Inp	3222.00		NIST
Tboil	1007.69	K	Joback Calculated Property
Tc	1255.09	K	Joback Calculated Property
Tfus	640.58	K	Joback Calculated Property
Vc	1.577	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1352.23; 1440.01]	J/mol×K	[1007.69; 1255.09]
Cp,gas	1352.23	J/mol×K	1007.69	Joback Calculated Property
Cp,gas	1371.22	J/mol×K	1048.92	Joback Calculated Property
Cp,gas	1388.35	J/mol×K	1090.16	Joback Calculated Property
Cp,gas	1403.71	J/mol×K	1131.39	Joback Calculated Property
Cp,gas	1417.38	J/mol×K	1172.62	Joback Calculated Property
Cp,gas	1429.46	J/mol×K	1213.86	Joback Calculated Property
Cp,gas	1440.01	J/mol×K	1255.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, heptadecyl ester.

Sources

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

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