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

InChI

InChI=1S/C23H34F3NO4/c1-5-6-7-8-9-10-11-12-13-31-23(29)20(15(2)3)27-22(28)16-14-17(24)19(26)21(30-4)18(16)25/h14-15,20H,5-13H2,1-4H3,(H,27,28)

InChI Key

AJXLGVOQLSGZHI-UHFFFAOYSA-N

Formula

C23H34F3NO4

SMILES

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

Molecular Weight¹

445.52

• 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°	-751.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1362.42	kJ/mol	Joback Calculated Property
ΔfusH°	60.68	kJ/mol	Joback Calculated Property
ΔvapH°	93.24	kJ/mol	Joback Calculated Property
log10WS	-7.52		Crippen Calculated Property
logPoct/wat	5.551		Crippen Calculated Property
McVol	341.340	ml/mol	McGowan Calculated Property
Pc	995.76	kPa	Joback Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		NIST
Tboil	971.92	K	Joback Calculated Property
Tc	1191.12	K	Joback Calculated Property
Tfus	594.22	K	Joback Calculated Property
Vc	1.341	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.66; 1206.21]	J/mol×K	[971.92; 1191.12]
Cp,gas	1137.66	J/mol×K	971.92	Joback Calculated Property
Cp,gas	1152.82	J/mol×K	1008.45	Joback Calculated Property
Cp,gas	1166.45	J/mol×K	1044.99	Joback Calculated Property
Cp,gas	1178.58	J/mol×K	1081.52	Joback Calculated Property
Cp,gas	1189.23	J/mol×K	1118.05	Joback Calculated Property
Cp,gas	1198.43	J/mol×K	1154.59	Joback Calculated Property
Cp,gas	1206.21	J/mol×K	1191.12	Joback Calculated Property

Similar Compounds

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