Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, undecyl ester

InChI

InChI=1S/C24H36F3NO3/c1-4-5-6-7-8-9-10-11-12-16-31-23(30)21(18(2)3)28-22(29)19-14-13-15-20(17-19)24(25,26)27/h13-15,17-18,21H,4-12,16H2,1-3H3,(H,28,29)

InChI Key

QEHUSJANDGIRQW-UHFFFAOYSA-N

Formula

C24H36F3NO3

SMILES

CCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C

Molecular Weight¹

443.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.83	kJ/mol	Joback Calculated Property
logPoct/wat	6.534		Crippen Calculated Property
McVol	349.560	ml/mol	McGowan Calculated Property
Pc	986.40	kPa	Joback Calculated Property
Inp	[2655.00; 2655.00]
Inp	2655.00		NIST
Inp	2655.00		NIST
Tboil	653.62	K	Relay (1.0) Calculated Property
Tfus	366.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1172.45; 1253.41]	J/mol×K	[954.21; 1168.26]
Cp,gas	1172.45	J/mol×K	954.21	Joback Calculated Property
Cp,gas	1188.74	J/mol×K	989.89	Joback Calculated Property
Cp,gas	1203.80	J/mol×K	1025.56	Joback Calculated Property
Cp,gas	1217.72	J/mol×K	1061.24	Joback Calculated Property
Cp,gas	1230.57	J/mol×K	1096.91	Joback Calculated Property
Cp,gas	1242.44	J/mol×K	1132.59	Joback Calculated Property
Cp,gas	1253.41	J/mol×K	1168.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.