Chemical Properties of L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester

InChI

InChI=1S/C16H17F6NO3/c1-4-26-14(25)12(8(2)3)23-13(24)10-7-9(15(17,18)19)5-6-11(10)16(20,21)22/h5-8,12H,4H2,1-3H3,(H,23,24)

InChI Key

DHAMIGHWGJCHQG-UHFFFAOYSA-N

Formula

C16H17F6NO3

SMILES

CCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C

Molecular Weight¹

385.30

• 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	0.7377		Relay (... Calculated Property
ΔfG°	-1264.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1842.29	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.55	kJ/mol	Joback Calculated Property
ΔvapH°	85.42	kJ/mol	Relay (... Calculated Property
IE	9.23	eV	Relay (... Calculated Property
log10WS	-5.39		Relay (... Calculated Property
logPoct/wat	4.042		Crippen Calculated Property
McVol	242.150	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[1719.00; 1719.00]
Inp	1719.00		NIST
Inp	1719.00		NIST
Tboil	567.30	K	Relay (... Calculated Property
Tc	803.52	K	Relay (... Calculated Property
Tfus	402.16	K	Relay (... Calculated Property
Vc	0.883	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.93; 790.04]	J/mol×K	[770.73; 960.15]
Cp,gas	726.93	J/mol×K	770.73	Joback Calculated Property
Cp,gas	739.50	J/mol×K	802.30	Joback Calculated Property
Cp,gas	751.18	J/mol×K	833.87	Joback Calculated Property
Cp,gas	762.02	J/mol×K	865.44	Joback Calculated Property
Cp,gas	772.08	J/mol×K	897.01	Joback Calculated Property
Cp,gas	781.40	J/mol×K	928.58	Joback Calculated Property
Cp,gas	790.04	J/mol×K	960.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester.

Sources

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

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