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

InChI

InChI=1S/C30H50FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-30(34)28(25(2)3)32-29(33)26-21-20-22-27(31)24-26/h20-22,24-25,28H,4-19,23H2,1-3H3,(H,32,33)

InChI Key

CXRQMNYNRBIPFB-UHFFFAOYSA-N

Formula

C30H50FNO3

SMILES

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

Molecular Weight¹

491.72

• 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	1.2636		Relay (1.0) Calculated Property
ΔfG°	-168.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1076.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.63	kJ/mol	Joback Calculated Property
ΔvapH°	141.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-8.47		Relay (1.0) Calculated Property
logPoct/wat	8.385		Crippen Calculated Property
McVol	430.560	ml/mol	McGowan Calculated Property
Pc	734.82	kPa	Joback Calculated Property
Inp	[3456.00; 3456.00]
Inp	3456.00		NIST
Inp	3456.00		NIST
Tboil	694.12	K	Relay (1.0) Calculated Property
Tc	926.48	K	Relay (1.0) Calculated Property
Tfus	361.26	K	Relay (1.0) Calculated Property
Vc	1.583	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1536.44; 1624.98]	J/mol×K	[1096.18; 1361.73]
Cp,gas	1536.44	J/mol×K	1096.18	Joback Calculated Property
Cp,gas	1555.67	J/mol×K	1140.44	Joback Calculated Property
Cp,gas	1572.91	J/mol×K	1184.70	Joback Calculated Property
Cp,gas	1588.31	J/mol×K	1228.96	Joback Calculated Property
Cp,gas	1602.02	J/mol×K	1273.21	Joback Calculated Property
Cp,gas	1614.20	J/mol×K	1317.47	Joback Calculated Property
Cp,gas	1624.98	J/mol×K	1361.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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