Chemical Properties of L-Valine, N-pentafluorobenzoyl-, tetradecyl ester

InChI

InChI=1S/C26H38F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-35-26(34)24(17(2)3)32-25(33)18-19(27)21(29)23(31)22(30)20(18)28/h17,24H,4-16H2,1-3H3,(H,32,33)

InChI Key

MXYLGPFZTACMFT-UHFFFAOYSA-N

Formula

C26H38F5NO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

507.58

• 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°	-1020.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1695.81	kJ/mol	Joback Calculated Property
ΔfusH°	73.03	kJ/mol	Joback Calculated Property
ΔvapH°	96.53	kJ/mol	Joback Calculated Property
log10WS	-9.74		Crippen Calculated Property
logPoct/wat	7.381		Crippen Calculated Property
McVol	381.280	ml/mol	McGowan Calculated Property
Pc	795.73	kPa	Joback Calculated Property
Inp	[2863.00; 2863.00]
Inp	2863.00		NIST
Inp	2863.00		NIST
Tboil	1021.66	K	Joback Calculated Property
Tc	1266.90	K	Joback Calculated Property
Tfus	619.50	K	Joback Calculated Property
Vc	1.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1306.65; 1382.82]	J/mol×K	[1021.66; 1266.90]
Cp,gas	1306.65	J/mol×K	1021.66	Joback Calculated Property
Cp,gas	1323.74	J/mol×K	1062.53	Joback Calculated Property
Cp,gas	1338.98	J/mol×K	1103.41	Joback Calculated Property
Cp,gas	1352.44	J/mol×K	1144.28	Joback Calculated Property
Cp,gas	1364.19	J/mol×K	1185.16	Joback Calculated Property
Cp,gas	1374.29	J/mol×K	1226.03	Joback Calculated Property
Cp,gas	1382.82	J/mol×K	1266.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, tetradecyl ester.

Sources

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

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