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

InChI

InChI=1S/C30H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-37-29(36)27(24(2)3)34-28(35)25-20-19-21-26(23-25)30(31,32)33/h19-21,23-24,27H,4-18,22H2,1-3H3,(H,34,35)

InChI Key

CXFGBRXQGARTPD-UHFFFAOYSA-N

Formula

C30H48F3NO3

SMILES

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

Molecular Weight¹

527.70

• 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).
• 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
ΔfG°	-555.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1349.02	kJ/mol	Joback Calculated Property
ΔfusH°	71.37	kJ/mol	Joback Calculated Property
ΔvapH°	103.13	kJ/mol	Joback Calculated Property
log10WS	-10.44		Crippen Calculated Property
logPoct/wat	8.874		Crippen Calculated Property
McVol	434.100	ml/mol	McGowan Calculated Property
Pc	707.33	kPa	Joback Calculated Property
Inp	[3255.00; 3255.00]
Inp	3255.00		NIST
Inp	3255.00		NIST
Tboil	1091.49	K	Joback Calculated Property
Tc	1359.75	K	Joback Calculated Property
Tfus	615.74	K	Joback Calculated Property
Vc	1.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1549.36; 1646.01]	J/mol×K	[1091.49; 1359.75]
Cp,gas	1549.36	J/mol×K	1091.49	Joback Calculated Property
Cp,gas	1569.13	J/mol×K	1136.20	Joback Calculated Property
Cp,gas	1587.17	J/mol×K	1180.91	Joback Calculated Property
Cp,gas	1603.68	J/mol×K	1225.62	Joback Calculated Property
Cp,gas	1618.86	J/mol×K	1270.33	Joback Calculated Property
Cp,gas	1632.90	J/mol×K	1315.04	Joback Calculated Property
Cp,gas	1646.01	J/mol×K	1359.75	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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