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

InChI

InChI=1S/C24H40F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-20(33)17-18-32-21(34)22(25,26)23(27,28)24(29,30)31/h2-19H2,1H3,(H,32,34)

InChI Key

OTCKMLPNRZEBQK-UHFFFAOYSA-N

Formula

C24H40F7NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

523.57

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1853		Relay (1.0) Calculated Property
ΔfG°	-1477.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-2393.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.72	kJ/mol	Joback Calculated Property
ΔvapH°	119.37	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	7.740		Crippen Calculated Property
McVol	380.400	ml/mol	McGowan Calculated Property
Pc	747.33	kPa	Joback Calculated Property
Inp	[2556.00; 2556.00]
Inp	2556.00		NIST
Inp	2556.00		NIST
Tboil	634.87	K	Relay (1.0) Calculated Property
Tc	762.19	K	Relay (1.0) Calculated Property
Tfus	322.61	K	Relay (1.0) Calculated Property
Vc	1.425	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1300.49; 1401.24]	J/mol×K	[914.05; 1130.75]
Cp,gas	1300.49	J/mol×K	914.05	Joback Calculated Property
Cp,gas	1319.98	J/mol×K	950.17	Joback Calculated Property
Cp,gas	1338.21	J/mol×K	986.28	Joback Calculated Property
Cp,gas	1355.32	J/mol×K	1022.40	Joback Calculated Property
Cp,gas	1371.44	J/mol×K	1058.51	Joback Calculated Property
Cp,gas	1386.70	J/mol×K	1094.63	Joback Calculated Property
Cp,gas	1401.24	J/mol×K	1130.75	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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