Chemical Properties of L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester

InChI

InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(21(2)3)30-26(31)23-20-22(28)17-18-24(23)29/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,30,31)

InChI Key

SANVSKVARXOBRX-UHFFFAOYSA-N

Formula

C27H43F2NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)ccc1F)C(C)C

Molecular Weight¹

467.63

• 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°	-398.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1093.71	kJ/mol	Joback Calculated Property
ΔfusH°	67.55	kJ/mol	Joback Calculated Property
ΔvapH°	99.22	kJ/mol	Joback Calculated Property
log10WS	-9.17		Crippen Calculated Property
logPoct/wat	7.354		Crippen Calculated Property
McVol	390.060	ml/mol	McGowan Calculated Property
Pc	834.83	kPa	Joback Calculated Property
Inp	[3110.00; 3110.00]
Inp	3110.00		NIST
Inp	3110.00		NIST
Tboil	1031.79	K	Joback Calculated Property
Tc	1270.65	K	Joback Calculated Property
Tfus	591.44	K	Joback Calculated Property
Vc	1.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1351.68; 1434.07]	J/mol×K	[1031.79; 1270.65]
Cp,gas	1351.68	J/mol×K	1031.79	Joback Calculated Property
Cp,gas	1369.32	J/mol×K	1071.60	Joback Calculated Property
Cp,gas	1385.28	J/mol×K	1111.41	Joback Calculated Property
Cp,gas	1399.64	J/mol×K	1151.22	Joback Calculated Property
Cp,gas	1412.50	J/mol×K	1191.03	Joback Calculated Property
Cp,gas	1423.95	J/mol×K	1230.84	Joback Calculated Property
Cp,gas	1434.07	J/mol×K	1270.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester.

Sources

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

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