Chemical Properties of Sarcosine, n-pentafluoropropionyl-, pentadecyl ester

InChI

InChI=1S/C21H36F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-18(28)17-27(2)19(29)20(22,23)21(24,25)26/h3-17H2,1-2H3

InChI Key

XRSLUJIZFJOUJH-UHFFFAOYSA-N

Formula

C21H36F5NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

445.51

• 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°	-1094.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1764.67	kJ/mol	Joback Calculated Property
ΔfusH°	58.12	kJ/mol	Joback Calculated Property
ΔvapH°	73.61	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	6.277		Crippen Calculated Property
McVol	334.590	ml/mol	McGowan Calculated Property
Pc	910.53	kPa	Joback Calculated Property
Inp	[2331.00; 2331.00]
Inp	2331.00		NIST
Inp	2331.00		NIST
Tboil	812.37	K	Joback Calculated Property
Tc	994.64	K	Joback Calculated Property
Tfus	488.78	K	Joback Calculated Property
Vc	1.327	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1080.37; 1173.32]	J/mol×K	[812.37; 994.64]
Cp,gas	1080.37	J/mol×K	812.37	Joback Calculated Property
Cp,gas	1098.23	J/mol×K	842.75	Joback Calculated Property
Cp,gas	1115.07	J/mol×K	873.13	Joback Calculated Property
Cp,gas	1130.93	J/mol×K	903.51	Joback Calculated Property
Cp,gas	1145.88	J/mol×K	933.89	Joback Calculated Property
Cp,gas	1159.99	J/mol×K	964.26	Joback Calculated Property
Cp,gas	1173.32	J/mol×K	994.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluoropropionyl-, pentadecyl ester.

Sources

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

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