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

InChI

InChI=1S/C27H40F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-27(35)25(18(2)3)33-26(34)19-20(28)22(30)24(32)23(31)21(19)29/h18,25H,4-17H2,1-3H3,(H,33,34)

InChI Key

PHWQGNNNOMPKAU-UHFFFAOYSA-N

Formula

C27H40F5NO3

SMILES

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

Molecular Weight¹

521.60

• 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°	-1011.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1716.45	kJ/mol	Joback Calculated Property
ΔfusH°	75.62	kJ/mol	Joback Calculated Property
ΔvapH°	98.76	kJ/mol	Joback Calculated Property
log10WS	-10.16		Crippen Calculated Property
logPoct/wat	7.771		Crippen Calculated Property
McVol	395.370	ml/mol	McGowan Calculated Property
Pc	754.33	kPa	Joback Calculated Property
Inp	[2978.00; 2978.00]
Inp	2978.00		NIST
Inp	2978.00		NIST
Tboil	1044.54	K	Joback Calculated Property
Tc	1302.07	K	Joback Calculated Property
Tfus	630.77	K	Joback Calculated Property
Vc	1.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1368.98; 1445.76]	J/mol×K	[1044.54; 1302.07]
Cp,gas	1368.98	J/mol×K	1044.54	Joback Calculated Property
Cp,gas	1386.62	J/mol×K	1087.46	Joback Calculated Property
Cp,gas	1402.22	J/mol×K	1130.38	Joback Calculated Property
Cp,gas	1415.85	J/mol×K	1173.31	Joback Calculated Property
Cp,gas	1427.59	J/mol×K	1216.23	Joback Calculated Property
Cp,gas	1437.54	J/mol×K	1259.15	Joback Calculated Property
Cp,gas	1445.76	J/mol×K	1302.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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