Chemical Properties of L-Valine, N-(4-fluorobenzoyl)-, tetradecyl ester

InChI

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

InChI Key

UDVVZNFISQUPAJ-UHFFFAOYSA-N

Formula

C26H42FNO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C

Molecular Weight¹

435.62

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1221		Relay (1.0) Calculated Property
ΔfG°	-202.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-999.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.27	kJ/mol	Joback Calculated Property
ΔvapH°	127.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-7.33		Relay (1.0) 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	[3050.00; 3050.00]
Inp	3050.00		NIST
Inp	3050.00		NIST
Tboil	670.38	K	Relay (1.0) Calculated Property
Tc	899.07	K	Relay (1.0) Calculated Property
Tfus	366.78	K	Relay (1.0) Calculated Property
Vc	1.367	m3/kmol	Relay (1.0) 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-(4-fluorobenzoyl)-, tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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