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

InChI

InChI=1S/C29H46F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-29(35)26(21(2)3)33-28(34)22-20-23(30)25(32)27(36-4)24(22)31/h20-21,26H,5-19H2,1-4H3,(H,33,34)

InChI Key

VNDCNVDCQWOKMQ-UHFFFAOYSA-N

Formula

C29H46F3NO4

SMILES

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

Molecular Weight¹

529.67

• 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°	-700.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1486.26	kJ/mol	Joback Calculated Property
ΔfusH°	76.22	kJ/mol	Joback Calculated Property
ΔvapH°	106.59	kJ/mol	Joback Calculated Property
log10WS	-10.04		Crippen Calculated Property
logPoct/wat	7.891		Crippen Calculated Property
McVol	425.880	ml/mol	McGowan Calculated Property
Pc	713.01	kPa	Joback Calculated Property
Inp	[3366.00; 3366.00]
Inp	3366.00		NIST
Inp	3366.00		NIST
Tboil	1109.20	K	Joback Calculated Property
Tc	1392.49	K	Joback Calculated Property
Tfus	661.84	K	Joback Calculated Property
Vc	1.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1509.43; 1572.80]	J/mol×K	[1109.20; 1392.49]
Cp,gas	1509.43	J/mol×K	1109.20	Joback Calculated Property
Cp,gas	1526.48	J/mol×K	1156.42	Joback Calculated Property
Cp,gas	1540.81	J/mol×K	1203.63	Joback Calculated Property
Cp,gas	1552.50	J/mol×K	1250.85	Joback Calculated Property
Cp,gas	1561.66	J/mol×K	1298.06	Joback Calculated Property
Cp,gas	1568.40	J/mol×K	1345.28	Joback Calculated Property
Cp,gas	1572.80	J/mol×K	1392.49	Joback Calculated Property

Similar Compounds

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