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

InChI

InChI=1S/C24H34F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-24(32)22(15(2)3)30-23(31)16-17(25)19(27)21(29)20(28)18(16)26/h15,22H,4-14H2,1-3H3,(H,30,31)

InChI Key

JCOMMQKSHHBFJZ-UHFFFAOYSA-N

Formula

C24H34F5NO3

SMILES

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

Molecular Weight¹

479.52

• 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°	69.43	kJ/mol	Joback Calculated Property
log10WS	-8.42		Relay (1.0) Calculated Property
logPoct/wat	6.601		Crippen Calculated Property
McVol	353.100	ml/mol	McGowan Calculated Property
Inp	[2691.00; 2691.00]
Inp	2691.00		NIST
Inp	2691.00		NIST
Tboil	639.12	K	Relay (1.0) Calculated Property
Tfus	373.95	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	[1176.07; 1249.99]	J/mol×K	[958.03; 1177.65]
Cp,gas	1176.07	J/mol×K	958.03	Joback Calculated Property
Cp,gas	1192.02	J/mol×K	994.63	Joback Calculated Property
Cp,gas	1206.46	J/mol×K	1031.24	Joback Calculated Property
Cp,gas	1219.44	J/mol×K	1067.84	Joback Calculated Property
Cp,gas	1230.99	J/mol×K	1104.44	Joback Calculated Property
Cp,gas	1241.16	J/mol×K	1141.04	Joback Calculated Property
Cp,gas	1249.99	J/mol×K	1177.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, dodecyl 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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