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

InChI

InChI=1S/C32H52F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-39-31(38)29(26(2)3)36-30(37)27-22-21-23-28(25-27)32(33,34)35/h21-23,25-26,29H,4-20,24H2,1-3H3,(H,36,37)

InChI Key

RHZTWHIKOHFLOR-UHFFFAOYSA-N

Formula

C32H52F3NO3

SMILES

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

Molecular Weight¹

555.76

• 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	1.3316		Relay (1.0) Calculated Property
ΔfG°	-538.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1542.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.55	kJ/mol	Joback Calculated Property
ΔvapH°	144.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-9.15		Relay (1.0) Calculated Property
logPoct/wat	9.655		Crippen Calculated Property
McVol	462.280	ml/mol	McGowan Calculated Property
Pc	640.27	kPa	Joback Calculated Property
Inp	[3456.00; 3456.00]
Inp	3456.00		NIST
Inp	3456.00		NIST
Tboil	710.65	K	Relay (1.0) Calculated Property
Tc	935.99	K	Relay (1.0) Calculated Property
Tfus	374.32	K	Relay (1.0) Calculated Property
Vc	1.699	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1678.13; 1783.74]	J/mol×K	[1137.25; 1435.35]
Cp,gas	1678.13	J/mol×K	1137.25	Joback Calculated Property
Cp,gas	1699.70	J/mol×K	1186.93	Joback Calculated Property
Cp,gas	1719.30	J/mol×K	1236.62	Joback Calculated Property
Cp,gas	1737.21	J/mol×K	1286.30	Joback Calculated Property
Cp,gas	1753.72	J/mol×K	1335.99	Joback Calculated Property
Cp,gas	1769.14	J/mol×K	1385.67	Joback Calculated Property
Cp,gas	1783.74	J/mol×K	1435.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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