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_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	74.61	kJ/mol	Joback Calculated Property
log10WS	-8.95		Relay (1.0) Calculated Property
logPoct/wat	7.381		Crippen Calculated Property
McVol	381.280	ml/mol	McGowan Calculated Property
Inp	[2863.00; 2863.00]
Inp	2863.00		NIST
Inp	2863.00		NIST
Tboil	654.85	K	Relay (1.0) Calculated Property
Tfus	377.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1299.12; 1374.47]	J/mol×K	[1003.79; 1242.71]
Cp,gas	1299.12	J/mol×K	1003.79	Joback Calculated Property
Cp,gas	1316.03	J/mol×K	1043.61	Joback Calculated Property
Cp,gas	1331.12	J/mol×K	1083.43	Joback Calculated Property
Cp,gas	1344.44	J/mol×K	1123.25	Joback Calculated Property
Cp,gas	1356.06	J/mol×K	1163.07	Joback Calculated Property
Cp,gas	1366.05	J/mol×K	1202.89	Joback Calculated Property
Cp,gas	1374.47	J/mol×K	1242.71	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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