Chemical Properties of «beta»-Alanine, n-heptafluorobutyryl-, octadecyl ester

InChI

InChI=1S/C25H42F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36-21(34)18-19-33-22(35)23(26,27)24(28,29)25(30,31)32/h2-20H2,1H3,(H,33,35)

InChI Key

YKTFLMBVZLWKHP-UHFFFAOYSA-N

Formula

C25H42F7NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

537.59

• 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°	-1468.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-2262.26	kJ/mol	Joback Calculated Property
ΔfusH°	69.31	kJ/mol	Joback Calculated Property
ΔvapH°	83.97	kJ/mol	Joback Calculated Property
log10WS	-9.41		Crippen Calculated Property
logPoct/wat	8.130		Crippen Calculated Property
McVol	394.490	ml/mol	McGowan Calculated Property
Pc	709.60	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	936.93	K	Joback Calculated Property
Tc	1164.57	K	Joback Calculated Property
Tfus	557.65	K	Joback Calculated Property
Vc	1.593	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1363.12; 1469.05]	J/mol×K	[936.93; 1164.57]
Cp,gas	1363.12	J/mol×K	936.93	Joback Calculated Property
Cp,gas	1383.61	J/mol×K	974.87	Joback Calculated Property
Cp,gas	1402.75	J/mol×K	1012.81	Joback Calculated Property
Cp,gas	1420.71	J/mol×K	1050.75	Joback Calculated Property
Cp,gas	1437.64	J/mol×K	1088.69	Joback Calculated Property
Cp,gas	1453.70	J/mol×K	1126.63	Joback Calculated Property
Cp,gas	1469.05	J/mol×K	1164.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, n-heptafluorobutyryl-, octadecyl ester.

Sources

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

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