Chemical Properties of L-Valine, N-pentafluorobenzoyl-, octadecyl ester

InChI

InChI=1S/C30H46F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-30(38)28(21(2)3)36-29(37)22-23(31)25(33)27(35)26(34)24(22)32/h21,28H,4-20H2,1-3H3,(H,36,37)

InChI Key

YVSURAVAVPEGGQ-UHFFFAOYSA-N

Formula

C30H46F5NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

563.68

• 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°	-986.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1778.37	kJ/mol	Joback Calculated Property
ΔfusH°	83.39	kJ/mol	Joback Calculated Property
ΔvapH°	105.44	kJ/mol	Joback Calculated Property
log10WS	-11.42		Crippen Calculated Property
logPoct/wat	8.941		Crippen Calculated Property
McVol	437.640	ml/mol	McGowan Calculated Property
Pc	647.79	kPa	Joback Calculated Property
Inp	[3335.00; 3335.00]
Inp	3335.00		NIST
Inp	3335.00		NIST
Tboil	1113.18	K	Joback Calculated Property
Tc	1417.52	K	Joback Calculated Property
Tfus	664.58	K	Joback Calculated Property
Vc	1.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1557.75; 1635.05]	J/mol×K	[1113.18; 1417.52]
Cp,gas	1557.75	J/mol×K	1113.18	Joback Calculated Property
Cp,gas	1577.22	J/mol×K	1163.90	Joback Calculated Property
Cp,gas	1593.83	J/mol×K	1214.63	Joback Calculated Property
Cp,gas	1607.75	J/mol×K	1265.35	Joback Calculated Property
Cp,gas	1619.15	J/mol×K	1316.07	Joback Calculated Property
Cp,gas	1628.20	J/mol×K	1366.80	Joback Calculated Property
Cp,gas	1635.05	J/mol×K	1417.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, octadecyl ester.

Sources

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

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