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

InChI

InChI=1S/C21H34F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-17(30)14-15-29-18(31)19(22,23)20(24,25)21(26,27)28/h2-16H2,1H3,(H,29,31)

InChI Key

HZXRIAXXRDQPLP-UHFFFAOYSA-N

Formula

C21H34F7NO3

SMILES

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

Molecular Weight¹

481.49

• 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	1.0773		Relay (1.0) Calculated Property
ΔfG°	-1502.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-2335.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.95	kJ/mol	Joback Calculated Property
ΔvapH°	107.81	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-7.25		Relay (1.0) Calculated Property
logPoct/wat	6.570		Crippen Calculated Property
McVol	338.130	ml/mol	McGowan Calculated Property
Pc	880.52	kPa	Joback Calculated Property
Inp	[2266.00; 2266.00]
Inp	2266.00		NIST
Inp	2266.00		NIST
Tboil	608.95	K	Relay (1.0) Calculated Property
Tc	735.81	K	Relay (1.0) Calculated Property
Tfus	312.91	K	Relay (1.0) Calculated Property
Vc	1.265	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1116.37; 1204.67]	J/mol×K	[845.41; 1036.59]
Cp,gas	1116.37	J/mol×K	845.41	Joback Calculated Property
Cp,gas	1133.42	J/mol×K	877.27	Joback Calculated Property
Cp,gas	1149.42	J/mol×K	909.14	Joback Calculated Property
Cp,gas	1164.46	J/mol×K	941.00	Joback Calculated Property
Cp,gas	1178.63	J/mol×K	972.86	Joback Calculated Property
Cp,gas	1192.00	J/mol×K	1004.73	Joback Calculated Property
Cp,gas	1204.67	J/mol×K	1036.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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