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

InChI

InChI=1S/C20H26F5NO3/c1-3-4-5-6-7-8-9-10-11-29-13(27)12-26(2)20(28)14-15(21)17(23)19(25)18(24)16(14)22/h3-12H2,1-2H3

InChI Key

ROFWNDNAIDISIR-UHFFFAOYSA-N

Formula

C20H26F5NO3

SMILES

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

Molecular Weight¹

423.42

• 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°	-1044.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1547.35	kJ/mol	Joback Calculated Property
ΔfusH°	62.46	kJ/mol	Joback Calculated Property
ΔvapH°	79.56	kJ/mol	Joback Calculated Property
log10WS	-6.74		Crippen Calculated Property
logPoct/wat	5.138		Crippen Calculated Property
McVol	296.740	ml/mol	McGowan Calculated Property
Pc	1111.11	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	847.53	K	Joback Calculated Property
Tc	1037.87	K	Joback Calculated Property
Tfus	561.69	K	Joback Calculated Property
Vc	1.185	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.83; 999.56]	J/mol×K	[847.53; 1037.87]
Cp,gas	924.83	J/mol×K	847.53	Joback Calculated Property
Cp,gas	939.66	J/mol×K	879.25	Joback Calculated Property
Cp,gas	953.52	J/mol×K	910.98	Joback Calculated Property
Cp,gas	966.41	J/mol×K	942.70	Joback Calculated Property
Cp,gas	978.37	J/mol×K	974.43	Joback Calculated Property
Cp,gas	989.41	J/mol×K	1006.15	Joback Calculated Property
Cp,gas	999.56	J/mol×K	1037.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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