Chemical Properties of «beta»-Alanine, n-pentafluoropropionyl-, tetradecyl ester

InChI

InChI=1S/C20H34F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-29-17(27)14-15-26-18(28)19(21,22)20(23,24)25/h2-16H2,1H3,(H,26,28)

InChI Key

FJGQICFQMHGYNW-UHFFFAOYSA-N

Formula

C20H34F5NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

431.48

• 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	1.0388		Relay (... Calculated Property
ΔfG°	-1124.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1929.14	kJ/mol	Relay (... Calculated Property
ΔfusH°	57.61	kJ/mol	Joback Calculated Property
ΔvapH°	104.92	kJ/mol	Relay (... Calculated Property
IE	10.01	eV	Relay (... Calculated Property
log10WS	-6.59		Relay (... Calculated Property
logPoct/wat	5.935		Crippen Calculated Property
McVol	320.500	ml/mol	McGowan Calculated Property
Pc	974.73	kPa	Joback Calculated Property
Inp	[2243.00; 2243.00]
Inp	2243.00		NIST
Inp	2243.00		NIST
Tboil	598.93	K	Relay (... Calculated Property
Tc	738.44	K	Relay (... Calculated Property
Tfus	324.90	K	Relay (... Calculated Property
Vc	1.199	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1040.62; 1127.92]	J/mol×K	[827.22; 1012.80]
Cp,gas	1040.62	J/mol×K	827.22	Joback Calculated Property
Cp,gas	1057.48	J/mol×K	858.15	Joback Calculated Property
Cp,gas	1073.34	J/mol×K	889.08	Joback Calculated Property
Cp,gas	1088.25	J/mol×K	920.01	Joback Calculated Property
Cp,gas	1102.28	J/mol×K	950.94	Joback Calculated Property
Cp,gas	1115.48	J/mol×K	981.87	Joback Calculated Property
Cp,gas	1127.92	J/mol×K	1012.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, tetradecyl ester.

Sources

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

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