Chemical Properties of Sarcosine, N-(2-fluorobenzoyl)-, dodecyl ester

InChI

InChI=1S/C22H34FNO3/c1-3-4-5-6-7-8-9-10-11-14-17-27-21(25)18-24(2)22(26)19-15-12-13-16-20(19)23/h12-13,15-16H,3-11,14,17-18H2,1-2H3

InChI Key

LLCJAPNHZPNLQG-UHFFFAOYSA-N

Formula

C22H34FNO3

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1F

Molecular Weight¹

379.51

• 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°	-209.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-758.31	kJ/mol	Joback Calculated Property
ΔfusH°	56.87	kJ/mol	Joback Calculated Property
ΔvapH°	84.63	kJ/mol	Joback Calculated Property
log10WS	-6.25		Crippen Calculated Property
logPoct/wat	5.362		Crippen Calculated Property
McVol	317.840	ml/mol	McGowan Calculated Property
Pc	1147.54	kPa	Joback Calculated Property
Inp	[2794.00; 2794.00]
Inp	2794.00		NIST
Inp	2794.00		NIST
Tboil	876.29	K	Joback Calculated Property
Tc	1075.53	K	Joback Calculated Property
Tfus	531.79	K	Joback Calculated Property
Vc	1.226	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1017.51; 1102.15]	J/mol×K	[876.29; 1075.53]
Cp,gas	1017.51	J/mol×K	876.29	Joback Calculated Property
Cp,gas	1034.28	J/mol×K	909.50	Joback Calculated Property
Cp,gas	1049.93	J/mol×K	942.70	Joback Calculated Property
Cp,gas	1064.49	J/mol×K	975.91	Joback Calculated Property
Cp,gas	1078.01	J/mol×K	1009.11	Joback Calculated Property
Cp,gas	1090.55	J/mol×K	1042.32	Joback Calculated Property
Cp,gas	1102.15	J/mol×K	1075.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-fluorobenzoyl)-, dodecyl ester.

Sources

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

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