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

InChI

InChI=1S/C30H49F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36-30(35)28(24(2)3)33-29(34)26-23-25(31)20-21-27(26)32/h20-21,23-24,28H,4-19,22H2,1-3H3,(H,33,34)

InChI Key

TURRSZZVFWTDFN-UHFFFAOYSA-N

Formula

C30H49F2NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)ccc1F)C(C)C

Molecular Weight¹

509.71

• 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	1.2828		Relay (1.0) Calculated Property
ΔfG°	-373.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1230.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.32	kJ/mol	Joback Calculated Property
ΔvapH°	140.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-8.73		Relay (1.0) Calculated Property
logPoct/wat	8.524		Crippen Calculated Property
McVol	432.330	ml/mol	McGowan Calculated Property
Pc	711.49	kPa	Joback Calculated Property
Inp	[3423.00; 3423.00]
Inp	3423.00		NIST
Inp	3423.00		NIST
Tboil	690.97	K	Relay (1.0) Calculated Property
Tc	924.66	K	Relay (1.0) Calculated Property
Tfus	377.00	K	Relay (1.0) Calculated Property
Vc	1.595	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1541.88; 1628.11]	J/mol×K	[1100.43; 1373.90]
Cp,gas	1541.88	J/mol×K	1100.43	Joback Calculated Property
Cp,gas	1561.13	J/mol×K	1146.01	Joback Calculated Property
Cp,gas	1578.22	J/mol×K	1191.59	Joback Calculated Property
Cp,gas	1593.32	J/mol×K	1237.16	Joback Calculated Property
Cp,gas	1606.56	J/mol×K	1282.74	Joback Calculated Property
Cp,gas	1618.11	J/mol×K	1328.32	Joback Calculated Property
Cp,gas	1628.11	J/mol×K	1373.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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