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

InChI

InChI=1S/C23H38F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-19(32)16-17-31-20(33)21(24,25)22(26,27)23(28,29)30/h2-18H2,1H3,(H,31,33)

InChI Key

KYDONHMBRSQUMJ-UHFFFAOYSA-N

Formula

C23H38F7NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

509.54

• 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	1.1497		Relay (1.0) Calculated Property
ΔfG°	-1485.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-2374.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.13	kJ/mol	Joback Calculated Property
ΔvapH°	115.50	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-7.78		Relay (1.0) Calculated Property
logPoct/wat	7.350		Crippen Calculated Property
McVol	366.310	ml/mol	McGowan Calculated Property
Pc	788.16	kPa	Joback Calculated Property
Inp	[2462.00; 2462.00]
Inp	2462.00		NIST
Inp	2462.00		NIST
Tboil	626.48	K	Relay (1.0) Calculated Property
Tc	753.66	K	Relay (1.0) Calculated Property
Tfus	319.96	K	Relay (1.0) Calculated Property
Vc	1.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1238.46; 1334.60]	J/mol×K	[891.17; 1098.21]
Cp,gas	1238.46	J/mol×K	891.17	Joback Calculated Property
Cp,gas	1257.05	J/mol×K	925.68	Joback Calculated Property
Cp,gas	1274.47	J/mol×K	960.18	Joback Calculated Property
Cp,gas	1290.82	J/mol×K	994.69	Joback Calculated Property
Cp,gas	1306.22	J/mol×K	1029.19	Joback Calculated Property
Cp,gas	1320.77	J/mol×K	1063.70	Joback Calculated Property
Cp,gas	1334.60	J/mol×K	1098.21	Joback Calculated Property

Similar Compounds

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