Chemical Properties of l-Valine, n-heptafluorobutyryl-, dodecyl ester

InChI

InChI=1S/C21H34F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-32-17(30)16(15(2)3)29-18(31)19(22,23)20(24,25)21(26,27)28/h15-16H,4-14H2,1-3H3,(H,29,31)

InChI Key

BIMNQVWNKMRGJB-UHFFFAOYSA-N

Formula

C21H34F7NO3

SMILES

CCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

481.49

• 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°	53.48	kJ/mol	Joback Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	6.424		Crippen Calculated Property
McVol	338.130	ml/mol	McGowan Calculated Property
Inp	[2070.00; 2070.00]
Inp	2070.00		NIST
Inp	2070.00		NIST
Tboil	578.03	K	Relay (1.0) Calculated Property
Tfus	327.70	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	[1109.76; 1196.52]	J/mol×K	[826.66; 1012.30]
Cp,gas	1109.76	J/mol×K	826.66	Joback Calculated Property
Cp,gas	1126.67	J/mol×K	857.60	Joback Calculated Property
Cp,gas	1142.50	J/mol×K	888.54	Joback Calculated Property
Cp,gas	1157.32	J/mol×K	919.48	Joback Calculated Property
Cp,gas	1171.21	J/mol×K	950.42	Joback Calculated Property
Cp,gas	1184.25	J/mol×K	981.36	Joback Calculated Property
Cp,gas	1196.52	J/mol×K	1012.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-heptafluorobutyryl-, 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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