Chemical Properties of l-Valine, n-pentafluoropropionyl-, hexadecyl ester

InChI

InChI=1S/C24H42F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-21(31)20(19(2)3)30-22(32)23(25,26)24(27,28)29/h19-20H,4-18H2,1-3H3,(H,30,32)

InChI Key

RNAIREZAVGOKNI-UHFFFAOYSA-N

Formula

C24H42F5NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

487.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	62.51	kJ/mol	Joback Calculated Property
ΔvapH°	114.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.70		Relay (1.0) Calculated Property
logPoct/wat	7.349		Crippen Calculated Property
McVol	376.860	ml/mol	McGowan Calculated Property
Inp	[2429.00; 2429.00]
Inp	2429.00		NIST
Inp	2429.00		NIST
Tboil	602.94	K	Relay (1.0) Calculated Property
Tfus	349.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[1278.68; 1376.11]	J/mol×K	[899.99; 1106.82]
Cp,gas	1278.68	J/mol×K	899.99	Joback Calculated Property
Cp,gas	1297.91	J/mol×K	934.46	Joback Calculated Property
Cp,gas	1315.81	J/mol×K	968.93	Joback Calculated Property
Cp,gas	1332.49	J/mol×K	1003.40	Joback Calculated Property
Cp,gas	1348.03	J/mol×K	1037.87	Joback Calculated Property
Cp,gas	1362.54	J/mol×K	1072.35	Joback Calculated Property
Cp,gas	1376.11	J/mol×K	1106.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-pentafluoropropionyl-, hexadecyl 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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