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

• 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).
• 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
ΔfG°	-1485.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-2220.98	kJ/mol	Joback Calculated Property
ΔfusH°	64.13	kJ/mol	Joback Calculated Property
ΔvapH°	79.52	kJ/mol	Joback Calculated Property
log10WS	-8.57		Crippen 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	891.17	K	Joback Calculated Property
Tc	1098.21	K	Joback Calculated Property
Tfus	535.11	K	Joback Calculated Property
Vc	1.482	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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