Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester

InChI

InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-9-10-14-29-21(28)19(16(2)3)26-20(27)17-12-11-13-18(15-17)22(23,24)25/h11-13,15-16,19H,4-10,14H2,1-3H3,(H,26,27)

InChI Key

RNWMXMVFTXUHIU-UHFFFAOYSA-N

Formula

C22H32F3NO3

SMILES

CCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C

Molecular Weight¹

415.49

• 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	0.9656		Relay (1.0) Calculated Property
ΔfG°	-622.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1346.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.65	kJ/mol	Joback Calculated Property
ΔvapH°	104.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-6.39		Relay (1.0) Calculated Property
logPoct/wat	5.754		Crippen Calculated Property
McVol	321.380	ml/mol	McGowan Calculated Property
Pc	1117.06	kPa	Joback Calculated Property
Inp	[2462.00; 2462.00]
Inp	2462.00		NIST
Inp	2462.00		NIST
Tboil	638.30	K	Relay (1.0) Calculated Property
Tc	860.30	K	Relay (1.0) Calculated Property
Tfus	364.37	K	Relay (1.0) Calculated Property
Vc	1.164	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1050.80; 1128.54]	J/mol×K	[908.45; 1113.64]
Cp,gas	1050.80	J/mol×K	908.45	Joback Calculated Property
Cp,gas	1066.36	J/mol×K	942.65	Joback Calculated Property
Cp,gas	1080.79	J/mol×K	976.85	Joback Calculated Property
Cp,gas	1094.15	J/mol×K	1011.04	Joback Calculated Property
Cp,gas	1106.52	J/mol×K	1045.24	Joback Calculated Property
Cp,gas	1117.96	J/mol×K	1079.44	Joback Calculated Property
Cp,gas	1128.54	J/mol×K	1113.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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