Chemical Properties of L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester

InChI

InChI=1S/C32H49F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-42-30(41)28(24(2)3)39-29(40)26-23-25(31(33,34)35)20-21-27(26)32(36,37)38/h20-21,23-24,28H,4-19,22H2,1-3H3,(H,39,40)

InChI Key

BSAUAWZETINORS-UHFFFAOYSA-N

Formula

C32H49F6NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C

Molecular Weight¹

609.73

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1129.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1998.85	kJ/mol	Joback Calculated Property
ΔfusH°	77.99	kJ/mol	Joback Calculated Property
ΔvapH°	104.49	kJ/mol	Joback Calculated Property
log10WS	-11.97		Crippen Calculated Property
logPoct/wat	10.283		Crippen Calculated Property
McVol	467.590	ml/mol	McGowan Calculated Property
Pc	599.85	kPa	Joback Calculated Property
Inp	[3328.00; 3328.00]
Inp	3328.00		NIST
Inp	3328.00		NIST
Tboil	1136.81	K	Joback Calculated Property
Tc	1451.75	K	Joback Calculated Property
Tfus	654.99	K	Joback Calculated Property
Vc	1.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1696.40; 1814.89]	J/mol×K	[1136.81; 1451.75]
Cp,gas	1696.40	J/mol×K	1136.81	Joback Calculated Property
Cp,gas	1719.28	J/mol×K	1189.30	Joback Calculated Property
Cp,gas	1740.38	J/mol×K	1241.79	Joback Calculated Property
Cp,gas	1760.09	J/mol×K	1294.28	Joback Calculated Property
Cp,gas	1778.82	J/mol×K	1346.77	Joback Calculated Property
Cp,gas	1796.95	J/mol×K	1399.26	Joback Calculated Property
Cp,gas	1814.89	J/mol×K	1451.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester.

Sources

• 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.