Chemical Properties of L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester

InChI

InChI=1S/C23H33F4NO3/c1-4-5-6-7-8-9-10-11-12-31-22(30)20(16(2)3)28-21(29)17-13-18(23(25,26)27)15-19(24)14-17/h13-16,20H,4-12H2,1-3H3,(H,28,29)

InChI Key

ORDZXOKUJIAADO-UHFFFAOYSA-N

Formula

C23H33F4NO3

SMILES

CCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(C)C

Molecular Weight¹

447.51

• 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	1.0196		Relay (1.0) Calculated Property
ΔfG°	-818.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1554.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.93	kJ/mol	Joback Calculated Property
ΔvapH°	108.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-7.20		Relay (1.0) Calculated Property
logPoct/wat	6.283		Crippen Calculated Property
McVol	337.240	ml/mol	McGowan Calculated Property
Pc	1009.09	kPa	Joback Calculated Property
Inp	[2457.00; 2457.00]
Inp	2457.00		NIST
Inp	2457.00		NIST
Tboil	640.90	K	Relay (1.0) Calculated Property
Tc	862.32	K	Relay (1.0) Calculated Property
Tfus	365.29	K	Relay (1.0) Calculated Property
Vc	1.229	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1117.62; 1195.26]	J/mol×K	[935.58; 1145.43]
Cp,gas	1117.62	J/mol×K	935.58	Joback Calculated Property
Cp,gas	1133.29	J/mol×K	970.56	Joback Calculated Property
Cp,gas	1147.78	J/mol×K	1005.53	Joback Calculated Property
Cp,gas	1161.16	J/mol×K	1040.51	Joback Calculated Property
Cp,gas	1173.48	J/mol×K	1075.48	Joback Calculated Property
Cp,gas	1184.83	J/mol×K	1110.46	Joback Calculated Property
Cp,gas	1195.26	J/mol×K	1145.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester.

Sources

• Cheméo Relay (1.0)
• 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.