Chemical Properties of L-Valine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, undecyl ester

InChI

InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-16-32-23(31)21(17(2)3)29-22(30)20-18(24(26,27)28)14-13-15-19(20)25/h13-15,17,21H,4-12,16H2,1-3H3,(H,29,30)

InChI Key

NGCZRQPCOLOMTG-UHFFFAOYSA-N

Formula

C24H35F4NO3

SMILES

CCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1C(F)(F)F)C(C)C

Molecular Weight¹

461.53

• 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°	-810.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1432.76	kJ/mol	Joback Calculated Property
ΔfusH°	58.52	kJ/mol	Joback Calculated Property
ΔvapH°	89.62	kJ/mol	Joback Calculated Property
log10WS	-8.26		Crippen Calculated Property
logPoct/wat	6.673		Crippen Calculated Property
McVol	351.330	ml/mol	McGowan Calculated Property
Pc	950.25	kPa	Joback Calculated Property
Inp	[2727.00; 2727.00]
Inp	2727.00		NIST
Inp	2727.00		NIST
Tboil	958.46	K	Joback Calculated Property
Tc	1174.15	K	Joback Calculated Property
Tfus	561.23	K	Joback Calculated Property
Vc	1.385	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1178.66; 1258.10]	J/mol×K	[958.46; 1174.15]
Cp,gas	1178.66	J/mol×K	958.46	Joback Calculated Property
Cp,gas	1194.77	J/mol×K	994.41	Joback Calculated Property
Cp,gas	1209.63	J/mol×K	1030.36	Joback Calculated Property
Cp,gas	1223.31	J/mol×K	1066.31	Joback Calculated Property
Cp,gas	1235.90	J/mol×K	1102.25	Joback Calculated Property
Cp,gas	1247.47	J/mol×K	1138.20	Joback Calculated Property
Cp,gas	1258.10	J/mol×K	1174.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, undecyl ester.

Sources

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

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