Chemical Properties of L-Valine, N-(3-fluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C26H42FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-26(30)24(21(2)3)28-25(29)22-17-16-18-23(27)20-22/h16-18,20-21,24H,4-15,19H2,1-3H3,(H,28,29)

InChI Key

IZHTXRVBUGMZRX-UHFFFAOYSA-N

Formula

C26H42FNO3

SMILES

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

Molecular Weight¹

435.62

• 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°	-202.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-865.49	kJ/mol	Joback Calculated Property
ΔfusH°	62.27	kJ/mol	Joback Calculated Property
ΔvapH°	97.15	kJ/mol	Joback Calculated Property
log10WS	-8.42		Crippen Calculated Property
logPoct/wat	6.824		Crippen Calculated Property
McVol	374.200	ml/mol	McGowan Calculated Property
Pc	915.50	kPa	Joback Calculated Property
Inp	[3047.00; 3047.00]
Inp	3047.00		NIST
Inp	3047.00		NIST
Tboil	1004.66	K	Joback Calculated Property
Tc	1231.64	K	Joback Calculated Property
Tfus	567.06	K	Joback Calculated Property
Vc	1.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1282.94; 1365.96]	J/mol×K	[1004.66; 1231.64]
Cp,gas	1282.94	J/mol×K	1004.66	Joback Calculated Property
Cp,gas	1300.27	J/mol×K	1042.49	Joback Calculated Property
Cp,gas	1316.09	J/mol×K	1080.32	Joback Calculated Property
Cp,gas	1330.49	J/mol×K	1118.15	Joback Calculated Property
Cp,gas	1343.55	J/mol×K	1155.98	Joback Calculated Property
Cp,gas	1355.35	J/mol×K	1193.81	Joback Calculated Property
Cp,gas	1365.96	J/mol×K	1231.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-fluorobenzoyl)-, tetradecyl 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.