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

InChI

InChI=1S/C28H43F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-27(35)25(21(2)3)33-26(34)23-20-22(28(30,31)32)17-18-24(23)29/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,33,34)

InChI Key

LGXYIDCDDRNFNF-UHFFFAOYSA-N

Formula

C28H43F4NO3

SMILES

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

Molecular Weight¹

517.64

• 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°	-776.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1515.32	kJ/mol	Joback Calculated Property
ΔfusH°	68.88	kJ/mol	Joback Calculated Property
ΔvapH°	98.52	kJ/mol	Joback Calculated Property
log10WS	-9.94		Crippen Calculated Property
logPoct/wat	8.233		Crippen Calculated Property
McVol	407.690	ml/mol	McGowan Calculated Property
Pc	759.74	kPa	Joback Calculated Property
Inp	[3029.00; 3029.00]
Inp	3029.00		NIST
Inp	3029.00		NIST
Tboil	1049.98	K	Joback Calculated Property
Tc	1300.80	K	Joback Calculated Property
Tfus	606.31	K	Joback Calculated Property
Vc	1.609	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1427.80; 1516.46]	J/mol×K	[1049.98; 1300.80]
Cp,gas	1427.80	J/mol×K	1049.98	Joback Calculated Property
Cp,gas	1446.15	J/mol×K	1091.78	Joback Calculated Property
Cp,gas	1462.88	J/mol×K	1133.59	Joback Calculated Property
Cp,gas	1478.14	J/mol×K	1175.39	Joback Calculated Property
Cp,gas	1492.05	J/mol×K	1217.19	Joback Calculated Property
Cp,gas	1504.78	J/mol×K	1258.99	Joback Calculated Property
Cp,gas	1516.46	J/mol×K	1300.80	Joback Calculated Property

Similar Compounds

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

Sources

• 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.