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

InChI

InChI=1S/C18H28F7NO3/c1-2-3-4-5-6-7-8-9-10-13-29-14(27)11-12-26-15(28)16(19,20)17(21,22)18(23,24)25/h2-13H2,1H3,(H,26,28)

InChI Key

PBPQESVEGHCUJW-UHFFFAOYSA-N

Formula

C18H28F7NO3

SMILES

CCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

439.41

• 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	0.9680		Relay (1.0) Calculated Property
ΔfG°	-1527.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-2277.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.18	kJ/mol	Joback Calculated Property
ΔvapH°	95.84	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
log10WS	-6.39		Relay (1.0) Calculated Property
logPoct/wat	5.400		Crippen Calculated Property
McVol	295.860	ml/mol	McGowan Calculated Property
Pc	1052.77	kPa	Joback Calculated Property
Inp	[1988.00; 1988.00]
Inp	1988.00		NIST
Inp	1988.00		NIST
Tboil	579.22	K	Relay (1.0) Calculated Property
Tc	707.77	K	Relay (1.0) Calculated Property
Tfus	300.58	K	Relay (1.0) Calculated Property
Vc	1.105	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.79; 1017.78]	J/mol×K	[776.77; 951.52]
Cp,gas	938.79	J/mol×K	776.77	Joback Calculated Property
Cp,gas	954.01	J/mol×K	805.90	Joback Calculated Property
Cp,gas	968.32	J/mol×K	835.02	Joback Calculated Property
Cp,gas	981.80	J/mol×K	864.15	Joback Calculated Property
Cp,gas	994.50	J/mol×K	893.27	Joback Calculated Property
Cp,gas	1006.47	J/mol×K	922.40	Joback Calculated Property
Cp,gas	1017.78	J/mol×K	951.52	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.