Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, undecyl ester

InChI

InChI=1S/C24H36F3NO4/c1-5-6-7-8-9-10-11-12-13-14-32-24(30)21(16(2)3)28-23(29)17-15-18(25)20(27)22(31-4)19(17)26/h15-16,21H,5-14H2,1-4H3,(H,28,29)

InChI Key

NLKDEOSGFSJNBT-UHFFFAOYSA-N

Formula

C24H36F3NO4

SMILES

CCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C

Molecular Weight¹

459.54

• 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°	-742.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1383.06	kJ/mol	Joback Calculated Property
ΔfusH°	63.27	kJ/mol	Joback Calculated Property
ΔvapH°	95.46	kJ/mol	Joback Calculated Property
log10WS	-7.94		Crippen Calculated Property
logPoct/wat	5.941		Crippen Calculated Property
McVol	355.430	ml/mol	McGowan Calculated Property
Pc	938.07	kPa	Joback Calculated Property
Inp	[2839.00; 2839.00]
Inp	2839.00		NIST
Inp	2839.00		NIST
Tboil	994.80	K	Joback Calculated Property
Tc	1221.33	K	Joback Calculated Property
Tfus	605.49	K	Joback Calculated Property
Vc	1.397	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1198.81; 1267.24]	J/mol×K	[994.80; 1221.33]
Cp,gas	1198.81	J/mol×K	994.80	Joback Calculated Property
Cp,gas	1214.27	J/mol×K	1032.56	Joback Calculated Property
Cp,gas	1228.06	J/mol×K	1070.31	Joback Calculated Property
Cp,gas	1240.22	J/mol×K	1108.07	Joback Calculated Property
Cp,gas	1250.78	J/mol×K	1145.82	Joback Calculated Property
Cp,gas	1259.78	J/mol×K	1183.58	Joback Calculated Property
Cp,gas	1267.24	J/mol×K	1221.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, undecyl 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.