Chemical Properties of L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester

InChI

InChI=1S/C22H31F4NO3/c1-4-5-6-7-8-9-10-13-30-21(29)19(15(2)3)27-20(28)17-12-11-16(23)14-18(17)22(24,25)26/h11-12,14-15,19H,4-10,13H2,1-3H3,(H,27,28)

InChI Key

HAYJPQCJRVEBGG-UHFFFAOYSA-N

Formula

C22H31F4NO3

SMILES

CCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(C)C

Molecular Weight¹

433.48

• 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	0.9823		Relay (1.0) Calculated Property
ΔfG°	-827.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1534.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.34	kJ/mol	Joback Calculated Property
ΔvapH°	103.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-6.71		Relay (1.0) Calculated Property
logPoct/wat	5.893		Crippen Calculated Property
McVol	323.150	ml/mol	McGowan Calculated Property
Pc	1073.57	kPa	Joback Calculated Property
Inp	[2444.00; 2444.00]
Inp	2444.00		NIST
Inp	2444.00		NIST
Tboil	636.16	K	Relay (1.0) Calculated Property
Tc	849.90	K	Relay (1.0) Calculated Property
Tfus	366.82	K	Relay (1.0) Calculated Property
Vc	1.174	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1057.16; 1133.14]	J/mol×K	[912.70; 1117.72]
Cp,gas	1057.16	J/mol×K	912.70	Joback Calculated Property
Cp,gas	1072.44	J/mol×K	946.87	Joback Calculated Property
Cp,gas	1086.59	J/mol×K	981.04	Joback Calculated Property
Cp,gas	1099.67	J/mol×K	1015.21	Joback Calculated Property
Cp,gas	1111.75	J/mol×K	1049.38	Joback Calculated Property
Cp,gas	1122.89	J/mol×K	1083.55	Joback Calculated Property
Cp,gas	1133.14	J/mol×K	1117.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester.

Sources

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

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