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

InChI

InChI=1S/C27H41F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-35-26(34)24(20(2)3)32-25(33)23-21(27(29,30)31)17-16-18-22(23)28/h16-18,20,24H,4-15,19H2,1-3H3,(H,32,33)

InChI Key

JTTZVSVITFAIGD-UHFFFAOYSA-N

Formula

C27H41F4NO3

SMILES

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

Molecular Weight¹

503.61

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1649		Relay (1.0) Calculated Property
ΔfG°	-785.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1609.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.29	kJ/mol	Joback Calculated Property
ΔvapH°	121.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-8.02		Relay (1.0) Calculated Property
logPoct/wat	7.843		Crippen Calculated Property
McVol	393.600	ml/mol	McGowan Calculated Property
Pc	801.60	kPa	Joback Calculated Property
Inp	[3031.00; 3031.00]
Inp	3031.00		NIST
Inp	3031.00		NIST
Tboil	668.45	K	Relay (1.0) Calculated Property
Tc	893.47	K	Relay (1.0) Calculated Property
Tfus	374.41	K	Relay (1.0) Calculated Property
Vc	1.440	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1364.84; 1450.82]	J/mol×K	[1027.10; 1267.19]
Cp,gas	1364.84	J/mol×K	1027.10	Joback Calculated Property
Cp,gas	1382.55	J/mol×K	1067.11	Joback Calculated Property
Cp,gas	1398.74	J/mol×K	1107.13	Joback Calculated Property
Cp,gas	1413.54	J/mol×K	1147.14	Joback Calculated Property
Cp,gas	1427.07	J/mol×K	1187.16	Joback Calculated Property
Cp,gas	1439.46	J/mol×K	1227.17	Joback Calculated Property
Cp,gas	1450.82	J/mol×K	1267.19	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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