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

InChI

InChI=1S/C32H49F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-42-30(41)28(24(2)3)39-29(40)26-23-25(31(33,34)35)20-21-27(26)32(36,37)38/h20-21,23-24,28H,4-19,22H2,1-3H3,(H,39,40)

InChI Key

BSAUAWZETINORS-UHFFFAOYSA-N

Formula

C32H49F6NO3

SMILES

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

Molecular Weight¹

609.73

• 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	1.3586		Relay (... Calculated Property
ΔfG°	-1129.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-2150.43	kJ/mol	Relay (... Calculated Property
ΔfusH°	77.99	kJ/mol	Joback Calculated Property
ΔvapH°	141.13	kJ/mol	Relay (... Calculated Property
IE	9.35	eV	Relay (... Calculated Property
log10WS	-9.82		Relay (... Calculated Property
logPoct/wat	10.283		Crippen Calculated Property
McVol	467.590	ml/mol	McGowan Calculated Property
Pc	599.85	kPa	Joback Calculated Property
Inp	[3328.00; 3328.00]
Inp	3328.00		NIST
Inp	3328.00		NIST
Tboil	706.08	K	Relay (... Calculated Property
Tc	935.57	K	Relay (... Calculated Property
Tfus	400.83	K	Relay (... Calculated Property
Vc	1.735	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1696.40; 1814.89]	J/mol×K	[1136.81; 1451.75]
Cp,gas	1696.40	J/mol×K	1136.81	Joback Calculated Property
Cp,gas	1719.28	J/mol×K	1189.30	Joback Calculated Property
Cp,gas	1740.38	J/mol×K	1241.79	Joback Calculated Property
Cp,gas	1760.09	J/mol×K	1294.28	Joback Calculated Property
Cp,gas	1778.82	J/mol×K	1346.77	Joback Calculated Property
Cp,gas	1796.95	J/mol×K	1399.26	Joback Calculated Property
Cp,gas	1814.89	J/mol×K	1451.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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